[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

C19H29ClN2O — CID 119308533

IUPAC[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-17(15-8-4-3-5-9-15)18-11-7-13-21(18)19(22)16-10-6-12-20-14-16;/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3;1H
InChIKeyOGPVEOYNGSXSRV-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.59
Rot. Bonds4

About [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119308533) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
PubChem CID119308533
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-17(15-8-4-3-5-9-15)18-11-7-13-21(18)19(22)16-10-6-12-20-14-16;/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3;1H
InChIKeyOGPVEOYNGSXSRV-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120987952
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129371138
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (CID 119308533) is [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is CCC(c1ccccc1)C1CCCN1C(=O)C1CCCNC1.Cl.
What is the InChIKey of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is OGPVEOYNGSXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-17(15-8-4-3-5-9-15)18-11-7-13-21(18)19(22)16-10-6-12-20-14-16;/h3-5,8-9,16-18,20H,2,6-7,10-14H2,1H3;1H.
What are the key properties of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119308533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).