N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine

C16H21N3O — CID 24732692

IUPACN-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1coc(CNC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C16H21N3O/c1-2-16(20-11-1)12-18-15-5-9-19(10-6-15)13-14-3-7-17-8-4-14/h1-4,7-8,11,15,18H,5-6,9-10,12-13H2
InChIKeyYKLGVAUNHQCRLV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 24732692) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID24732692
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESc1coc(CNC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C16H21N3O/c1-2-16(20-11-1)12-18-15-5-9-19(10-6-15)13-14-3-7-17-8-4-14/h1-4,7-8,11,15,18H,5-6,9-10,12-13H2
InChIKeyYKLGVAUNHQCRLV-UHFFFAOYSA-N
XLogP2.43
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
N-[(3-methoxy-2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 154803346
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56682320
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 24732692) is N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine is c1coc(CNC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is YKLGVAUNHQCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-16(20-11-1)12-18-15-5-9-19(10-6-15)13-14-3-7-17-8-4-14/h1-4,7-8,11,15,18H,5-6,9-10,12-13H2.
What are the key properties of N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 24732692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).