2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride

C16H24Cl2N2O — CID 120849357

IUPAC2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
SMILESCl.Clc1cccc(C2CN(CC3CCNCC3)CCO2)c1
InChIInChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-12-19(8-9-20-16)11-13-4-6-18-7-5-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H
InChIKeyKDNURVFFJOSUAU-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.13
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride

2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride (PubChem CID 120849357) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
PubChem CID120849357
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
SMILESCl.Clc1cccc(C2CN(CC3CCNCC3)CCO2)c1
InChIInChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-12-19(8-9-20-16)11-13-4-6-18-7-5-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H
InChIKeyKDNURVFFJOSUAU-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120903950
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
2-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)morpholine
CID 68619203
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475
3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
CID 124622135
4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
CID 120858319
methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
CID 70381407
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride (CID 120849357) is 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride is Cl.Clc1cccc(C2CN(CC3CCNCC3)CCO2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride?
The InChIKey is KDNURVFFJOSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c17-15-3-1-2-14(10-15)16-12-19(8-9-20-16)11-13-4-6-18-7-5-13;/h1-3,10,13,16,18H,4-9,11-12H2;1H.
What are the key properties of 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride?
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 120849357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).