(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one

C14H28N2O — CID 113304805

IUPAC(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(CCC)CC1
InChIInChI=1S/C14H28N2O/c1-3-5-7-13(15)14(17)16-10-8-12(6-4-2)9-11-16/h12-13H,3-11,15H2,1-2H3/t13-/m0/s1
InChIKeyAXZAZVKBDVYIHY-ZDUSSCGKSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one

(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one (PubChem CID 113304805) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
PubChem CID113304805
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(CCC)CC1
InChIInChI=1S/C14H28N2O/c1-3-5-7-13(15)14(17)16-10-8-12(6-4-2)9-11-16/h12-13H,3-11,15H2,1-2H3/t13-/m0/s1
InChIKeyAXZAZVKBDVYIHY-ZDUSSCGKSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one (CID 113304805) is (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(CCC)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one?
The InChIKey is AXZAZVKBDVYIHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-7-13(15)14(17)16-10-8-12(6-4-2)9-11-16/h12-13H,3-11,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 113304805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).