(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one

C14H26N2O — CID 10376940

IUPAC(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2/t13-/m0/s1
InChIKeyIEVLPJFEZHCMBF-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one

(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one (PubChem CID 10376940) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one
PubChem CID10376940
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2/t13-/m0/s1
InChIKeyIEVLPJFEZHCMBF-ZDUSSCGKSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 767567
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CID 23646030
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CID 880907
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CID 10220206
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CID 11266019
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CID 17249078
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CID 44403068
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one (CID 10376940) is (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one is N[C@@H](CC1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is IEVLPJFEZHCMBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one?
(2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10376940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).