[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride

C19H23ClN2O — CID 119563632

IUPAC[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-20-18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,18,20H,11-14H2,1H3;1H
InChIKeyLVTCNAYFMNHGQE-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.60
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride (PubChem CID 119563632) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
PubChem CID119563632
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-20-18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,18,20H,11-14H2,1H3;1H
InChIKeyLVTCNAYFMNHGQE-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride (CID 119563632) is [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride?
The InChIKey is LVTCNAYFMNHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-20-18-11-13-21(14-12-18)19(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-10,18,20H,11-14H2,1H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119563632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).