(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane

C14H29N — CID 145118485

IUPAC(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
SMILESCC(C)C.C[C@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C10H19N.C4H10/c1-9-4-3-7-11(8-9)10-5-2-6-10;1-4(2)3/h9-10H,2-8H2,1H3;4H,1-3H3/t9-;/m0./s1
InChIKeyRMVSFVPDXAMTAG-FVGYRXGTSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds1

About (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane

(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane (PubChem CID 145118485) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane.

Molecular Properties

Compound Name(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
PubChem CID145118485
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
SMILESCC(C)C.C[C@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C10H19N.C4H10/c1-9-4-3-7-11(8-9)10-5-2-6-10;1-4(2)3/h9-10H,2-8H2,1H3;4H,1-3H3/t9-;/m0./s1
InChIKeyRMVSFVPDXAMTAG-FVGYRXGTSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
1-(4-ethenylcyclohexyl)-3-methylpiperidine
CID 146292891
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
1-cyclohexylazetidine;2-methylpropane
CID 178017193
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
3-methyl-1-(5-methylpyrrolidin-3-yl)piperidine
CID 130528543
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane?
The IUPAC name of (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane (CID 145118485) is (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane.
What is the SMILES notation for (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane?
The canonical SMILES for (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane is CC(C)C.C[C@H]1CCCN(C2CCC2)C1.
What is the InChIKey of (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane?
The InChIKey is RMVSFVPDXAMTAG-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19N.C4H10/c1-9-4-3-7-11(8-9)10-5-2-6-10;1-4(2)3/h9-10H,2-8H2,1H3;4H,1-3H3/t9-;/m0./s1.
What are the key properties of (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane?
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane has a molecular weight of 211.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane is sourced from PubChem (CID 145118485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).