N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine

C17H34N2 — CID 81388196

IUPACN-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-12-19-13-10-17(11-14-19)18-15(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyYBEOYWYTTDUMFP-HNNXBMFYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds5

About N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine

N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine (PubChem CID 81388196) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
PubChem CID81388196
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@@H](C)C2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-12-19-13-10-17(11-14-19)18-15(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyYBEOYWYTTDUMFP-HNNXBMFYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
1-cyclopropyl-N-[1-(1-propylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 43746999
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine (CID 81388196) is N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine is CCCN1CCC(N[C@@H](C)C2CCCCCC2)CC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine?
The InChIKey is YBEOYWYTTDUMFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-12-19-13-10-17(11-14-19)18-15(2)16-8-6-4-5-7-9-16/h15-18H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine?
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 81388196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).