2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide

C71H149N11O2S — CID 158133073

IUPAC2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC=C1CCCCN1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCCC[C@H]1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.C9H18N2O.2C9H19N.C9H17N.C8H18N2.C7H15NOS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-10(9)6-4-8/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3/t;;;;9-;;;/m....1.../s1
InChIKeyFTABPWMHVSOQFE-UFNGLUIVSA-N
MW1221.11 g/mol
LogP12.53
Rot. Bonds9

About 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide

2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 158133073) has the molecular formula C71H149N11O2S and a molecular weight of 1221.11 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID158133073
Molecular FormulaC71H149N11O2S
Molecular Weight1221.11 g/mol
Exact Mass1220.16
IUPAC Name2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC=C1CCCCN1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCCC[C@H]1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.C9H18N2O.2C9H19N.C9H17N.C8H18N2.C7H15NOS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-10(9)6-4-8/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3/t;;;;9-;;;/m....1.../s1
InChIKeyFTABPWMHVSOQFE-UFNGLUIVSA-N
XLogP12.53
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.11
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide (CID 158133073) is 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide is C=C1CCCCN1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCCC[C@H]1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCS(=O)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is FTABPWMHVSOQFE-UFNGLUIVSA-N. The full InChI is InChI=1S/C10H22N2.C10H21N.C9H18N2O.2C9H19N.C9H17N.C8H18N2.C7H15NOS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-8-6-5-7-10(11,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-10(9)6-4-8/h9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3/t;;;;9-;;;/m....1.../s1.
What are the key properties of 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide?
2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 1221.11 g/mol, XLogP of 12.53, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine;2-methylidene-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 158133073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).