(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

C17H25ClN2O — CID 119290280

IUPAC(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c20-17(16-8-4-5-10-18-16)19-11-9-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H
InChIKeyVJNKKQUALYMKLC-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.64
Rot. Bonds3

About (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride

(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119290280) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
PubChem CID119290280
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c20-17(16-8-4-5-10-18-16)19-11-9-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H
InChIKeyVJNKKQUALYMKLC-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride (CID 119290280) is (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCCN1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is VJNKKQUALYMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c20-17(16-8-4-5-10-18-16)19-11-9-15(13-19)12-14-6-2-1-3-7-14;/h1-3,6-7,15-16,18H,4-5,8-13H2;1H.
What are the key properties of (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride?
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119290280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).