N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine

C19H26N2O — CID 45222723

IUPACN-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
SMILESc1ccc(CCCN2CCCC(NCc3ccco3)C2)cc1
InChIInChI=1S/C19H26N2O/c1-2-7-17(8-3-1)9-4-12-21-13-5-10-18(16-21)20-15-19-11-6-14-22-19/h1-3,6-8,11,14,18,20H,4-5,9-10,12-13,15-16H2
InChIKeyVGWBPGXNMWBIFN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.47
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine

N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine (PubChem CID 45222723) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
PubChem CID45222723
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
SMILESc1ccc(CCCN2CCCC(NCc3ccco3)C2)cc1
InChIInChI=1S/C19H26N2O/c1-2-7-17(8-3-1)9-4-12-21-13-5-10-18(16-21)20-15-19-11-6-14-22-19/h1-3,6-8,11,14,18,20H,4-5,9-10,12-13,15-16H2
InChIKeyVGWBPGXNMWBIFN-UHFFFAOYSA-N
XLogP3.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
CID 30674042
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 106415219
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine (CID 45222723) is N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine is c1ccc(CCCN2CCCC(NCc3ccco3)C2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine?
The InChIKey is VGWBPGXNMWBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-7-17(8-3-1)9-4-12-21-13-5-10-18(16-21)20-15-19-11-6-14-22-19/h1-3,6-8,11,14,18,20H,4-5,9-10,12-13,15-16H2.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine?
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine has a molecular weight of 298.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine is sourced from PubChem (CID 45222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).