2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

C17H26ClN3 — CID 63171544

IUPAC2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26ClN3/c18-15-6-4-14(5-7-15)17(12-19)21-11-8-16(13-21)20-9-2-1-3-10-20/h4-7,16-17H,1-3,8-13,19H2
InChIKeyPSBJFBJVFZTHJZ-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine

2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 63171544) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID63171544
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26ClN3/c18-15-6-4-14(5-7-15)17(12-19)21-11-8-16(13-21)20-9-2-1-3-10-20/h4-7,16-17H,1-3,8-13,19H2
InChIKeyPSBJFBJVFZTHJZ-UHFFFAOYSA-N
XLogP2.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66155655
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63987004
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63649279
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine (CID 63171544) is 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is NCC(c1ccc(Cl)cc1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is PSBJFBJVFZTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-15-6-4-14(5-7-15)17(12-19)21-11-8-16(13-21)20-9-2-1-3-10-20/h4-7,16-17H,1-3,8-13,19H2.
What are the key properties of 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 307.87 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63171544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).