[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C19H29ClN2O — CID 119308525

IUPAC[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CCNCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-17(15-7-4-3-5-8-15)18-9-6-14-21(18)19(22)16-10-12-20-13-11-16;/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3;1H
InChIKeyQVMVSJQFVAHANH-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.59
Rot. Bonds4

About [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119308525) 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-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119308525
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CCNCC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-17(15-7-4-3-5-8-15)18-9-6-14-21(18)19(22)16-10-12-20-13-11-16;/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3;1H
InChIKeyQVMVSJQFVAHANH-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-3-ylmethanone;hydrochloride
CID 119308533
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120987952
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119326458
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
1-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 95764764

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119308525) is [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is CCC(c1ccccc1)C1CCCN1C(=O)C1CCNCC1.Cl.
What is the InChIKey of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is QVMVSJQFVAHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-17(15-7-4-3-5-8-15)18-9-6-14-21(18)19(22)16-10-12-20-13-11-16;/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3;1H.
What are the key properties of [2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-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-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119308525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).