[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride

C19H29ClN2O2 — CID 119698256

IUPAC[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCc1ccc(CCC2CCN(C(=O)C3COCCN3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-2-4-16(5-3-15)6-7-17-8-11-21(12-9-17)19(22)18-14-23-13-10-20-18;/h2-5,17-18,20H,6-14H2,1H3;1H
InChIKeyNCIIYSISDVACDF-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.58
Rot. Bonds4

About [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119698256) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119698256
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCc1ccc(CCC2CCN(C(=O)C3COCCN3)CC2)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-2-4-16(5-3-15)6-7-17-8-11-21(12-9-17)19(22)18-14-23-13-10-20-18;/h2-5,17-18,20H,6-14H2,1H3;1H
InChIKeyNCIIYSISDVACDF-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
CID 119734536
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119698256) is [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cc1ccc(CCC2CCN(C(=O)C3COCCN3)CC2)cc1.Cl.
What is the InChIKey of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is NCIIYSISDVACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15-2-4-16(5-3-15)6-7-17-8-11-21(12-9-17)19(22)18-14-23-13-10-20-18;/h2-5,17-18,20H,6-14H2,1H3;1H.
What are the key properties of [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119698256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).