N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine

C16H25N3O — CID 65082180

IUPACN-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
SMILESc1ccc(N2CCC(NC3CCCOCC3)CC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-9-17-16(5-1)19-10-6-15(7-11-19)18-14-4-3-12-20-13-8-14/h1-2,5,9,14-15,18H,3-4,6-8,10-13H2
InChIKeySSBADTCBMVCJGW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.21
Rot. Bonds3

About N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine

N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 65082180) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID65082180
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
SMILESc1ccc(N2CCC(NC3CCCOCC3)CC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-9-17-16(5-1)19-10-6-15(7-11-19)18-14-4-3-12-20-13-8-14/h1-2,5,9,14-15,18H,3-4,6-8,10-13H2
InChIKeySSBADTCBMVCJGW-UHFFFAOYSA-N
XLogP2.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
N-(2,3-dimethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43765340
N-(2-morpholin-3-ylcyclopentyl)-1-pyridin-2-ylpiperidin-4-amine;hydrochloride
CID 120915468
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
N-(2-propylcyclopropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 103902772
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 129338337
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
N-cyclobutyloxepan-4-amine
CID 65079311

Frequently Asked Questions

What is the IUPAC name of N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine (CID 65082180) is N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine is c1ccc(N2CCC(NC3CCCOCC3)CC2)nc1.
What is the InChIKey of N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is SSBADTCBMVCJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-17-16(5-1)19-10-6-15(7-11-19)18-14-4-3-12-20-13-8-14/h1-2,5,9,14-15,18H,3-4,6-8,10-13H2.
What are the key properties of N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine?
N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 65082180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).