(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine

C12H25N — CID 167138611

IUPAC(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)C[C@@H]1CCCCN1C(C)C
InChIInChI=1S/C12H25N/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyIKDIIEBWOAHVOD-LBPRGKRZSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine

(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine (PubChem CID 167138611) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
PubChem CID167138611
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)C[C@@H]1CCCCN1C(C)C
InChIInChI=1S/C12H25N/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyIKDIIEBWOAHVOD-LBPRGKRZSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylpropyl)azepane
CID 130636029
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1-ethyl-2-(2-methylpropyl)piperidine
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(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-2-enal
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1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
1-cyclopropyl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]ethanamine
CID 115895087
1-[(1-propan-2-ylpiperidin-2-yl)methyl]cyclopentan-1-amine
CID 115074045
1-[(1-propan-2-ylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 115074095
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
CID 167152246
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
2-[(5,5-dimethylpyrrolidin-3-yl)methyl]-1-propan-2-ylpiperidine
CID 117269728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine?
The IUPAC name of (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine (CID 167138611) is (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine?
The canonical SMILES for (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine is CC(C)C[C@@H]1CCCCN1C(C)C.
What is the InChIKey of (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine?
The InChIKey is IKDIIEBWOAHVOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-12H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine?
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 167138611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).