(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

C18H27N3O — CID 22741766

IUPAC(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(Cc3ccccc3)CCNCC2)CC1
InChIInChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)17(22)18(7-9-19-10-8-18)15-16-5-3-2-4-6-16/h2-6,19H,7-15H2,1H3
InChIKeyDYJWZNXJACTEFA-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.37
Rot. Bonds3

About (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone

(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 22741766) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID22741766
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(Cc3ccccc3)CCNCC2)CC1
InChIInChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)17(22)18(7-9-19-10-8-18)15-16-5-3-2-4-6-16/h2-6,19H,7-15H2,1H3
InChIKeyDYJWZNXJACTEFA-UHFFFAOYSA-N
XLogP1.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 22741766) is (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(Cc3ccccc3)CCNCC2)CC1.
What is the InChIKey of (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DYJWZNXJACTEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-11-13-21(14-12-20)17(22)18(7-9-19-10-8-18)15-16-5-3-2-4-6-16/h2-6,19H,7-15H2,1H3.
What are the key properties of (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone?
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22741766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).