4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine

C17H23N3 — CID 57053543

IUPAC4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine
SMILESNc1cc(C2CCN(CCc3ccccc3)CC2)c[nH]1
InChIInChI=1S/C17H23N3/c18-17-12-16(13-19-17)15-7-10-20(11-8-15)9-6-14-4-2-1-3-5-14/h1-5,12-13,15,19H,6-11,18H2
InChIKeyWCSHJBJZFHZAIV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds4

About 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine

4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine (PubChem CID 57053543) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine
PubChem CID57053543
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine
SMILESNc1cc(C2CCN(CCc3ccccc3)CC2)c[nH]1
InChIInChI=1S/C17H23N3/c18-17-12-16(13-19-17)15-7-10-20(11-8-15)9-6-14-4-2-1-3-5-14/h1-5,12-13,15,19H,6-11,18H2
InChIKeyWCSHJBJZFHZAIV-UHFFFAOYSA-N
XLogP3.02
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138382787
[2-[1-(2-phenylethyl)piperidin-4-yl]phenyl]methanol;hydrochloride
CID 70203501
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine?
The IUPAC name of 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine (CID 57053543) is 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine.
What is the SMILES notation for 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine?
The canonical SMILES for 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine is Nc1cc(C2CCN(CCc3ccccc3)CC2)c[nH]1.
What is the InChIKey of 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine?
The InChIKey is WCSHJBJZFHZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-17-12-16(13-19-17)15-7-10-20(11-8-15)9-6-14-4-2-1-3-5-14/h1-5,12-13,15,19H,6-11,18H2.
What are the key properties of 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine?
4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrrol-2-amine is sourced from PubChem (CID 57053543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).