4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine

C49H107F2N13 — CID 158271166

IUPAC4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(F)(F)CC1.CN1CCC(N(C)C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C11H22N2.C8H18N2.C7H16N2.C6H11F2N.2C6H14N2.C5H12N2/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-9(2)8-4-6-10(3)7-5-8;1-8-4-3-5-9(2)7-6-8;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h3-10H2,1-2H3;8H,4-7H2,1-3H3;3-7H2,1-2H3;2-5H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyGJAWPWZDKXVPND-UHFFFAOYSA-N
MW916.48 g/mol
LogP2.96
Rot. Bonds1

About 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine

4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine (PubChem CID 158271166) has the molecular formula C49H107F2N13 and a molecular weight of 916.48 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine
PubChem CID158271166
Molecular FormulaC49H107F2N13
Molecular Weight916.48 g/mol
Exact Mass915.87
IUPAC Name4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(F)(F)CC1.CN1CCC(N(C)C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C11H22N2.C8H18N2.C7H16N2.C6H11F2N.2C6H14N2.C5H12N2/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-9(2)8-4-6-10(3)7-5-8;1-8-4-3-5-9(2)7-6-8;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h3-10H2,1-2H3;8H,4-7H2,1-3H3;3-7H2,1-2H3;2-5H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyGJAWPWZDKXVPND-UHFFFAOYSA-N
XLogP2.96
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4,4-difluoro-1-methylpiperidine;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine
CID 164091827
1,3-Dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
CID 160693849
1-Tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-1,4-diazepane;1-propan-2-yl-4-propylpiperazine
CID 161353322
1-tert-butyl-2,2-dimethylpiperazine;4-tert-butyl-2,2-dimethyl-1-propan-2-ylpiperazine;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);bis((2R)-1,4-ditert-butyl-2-methylpiperazine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;propane
CID 165037737

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine (CID 158271166) is 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine is CN1CCC(F)(F)CC1.CN1CCC(N(C)C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCN(C)CC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is GJAWPWZDKXVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C8H18N2.C7H16N2.C6H11F2N.2C6H14N2.C5H12N2/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-9(2)8-4-6-10(3)7-5-8;1-8-4-3-5-9(2)7-6-8;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h3-10H2,1-2H3;8H,4-7H2,1-3H3;3-7H2,1-2H3;2-5H2,1H3;3-6H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine?
4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 916.48 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1-methyl-1,4-diazepane;1-methylpiperazine;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 158271166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).