(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride

C19H29ClN2O — CID 119930769

IUPAC(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCN(CC3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-2-4-17(5-3-15)19(22)18-8-12-21(13-9-18)14-16-6-10-20-11-7-16;/h2-5,16,18,20H,6-14H2,1H3;1H
InChIKeyRIAHZKNZMMDJPZ-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.31
Rot. Bonds4

About (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride

(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 119930769) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID119930769
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCN(CC3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-15-2-4-17(5-3-15)19(22)18-8-12-21(13-9-18)14-16-6-10-20-11-7-16;/h2-5,16,18,20H,6-14H2,1H3;1H
InChIKeyRIAHZKNZMMDJPZ-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone
CID 141222160
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 70858249
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119930875

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride (CID 119930769) is (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride is Cc1ccc(C(=O)C2CCN(CC3CCNCC3)CC2)cc1.Cl.
What is the InChIKey of (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is RIAHZKNZMMDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-15-2-4-17(5-3-15)19(22)18-8-12-21(13-9-18)14-16-6-10-20-11-7-16;/h2-5,16,18,20H,6-14H2,1H3;1H.
What are the key properties of (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride?
(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119930769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).