1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine

C17H23N3 — CID 13306762

IUPAC1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
SMILESc1ccc(CCN2CCC(Nn3cccc3)CC2)cc1
InChIInChI=1S/C17H23N3/c1-2-6-16(7-3-1)8-13-19-14-9-17(10-15-19)18-20-11-4-5-12-20/h1-7,11-12,17-18H,8-10,13-15H2
InChIKeyKRSHDWFDKRLSIT-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine

1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine (PubChem CID 13306762) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
PubChem CID13306762
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
SMILESc1ccc(CCN2CCC(Nn3cccc3)CC2)cc1
InChIInChI=1S/C17H23N3/c1-2-6-16(7-3-1)8-13-19-14-9-17(10-15-19)18-20-11-4-5-12-20/h1-7,11-12,17-18H,8-10,13-15H2
InChIKeyKRSHDWFDKRLSIT-UHFFFAOYSA-N
XLogP2.74
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-enedioic acid;1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 70414111
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine (CID 13306762) is 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine is c1ccc(CCN2CCC(Nn3cccc3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine?
The InChIKey is KRSHDWFDKRLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-6-16(7-3-1)8-13-19-14-9-17(10-15-19)18-20-11-4-5-12-20/h1-7,11-12,17-18H,8-10,13-15H2.
What are the key properties of 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine?
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine is sourced from PubChem (CID 13306762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).