4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride

C24H33Cl3N2O — CID 70620318

IUPAC4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(c2ccccc2)C2CCCN(CCN3CCOCC3)C2)cc1
InChIInChI=1S/C24H31ClN2O.2ClH/c25-23-10-8-21(9-11-23)24(20-5-2-1-3-6-20)22-7-4-12-27(19-22)14-13-26-15-17-28-18-16-26;;/h1-3,5-6,8-11,22,24H,4,7,12-19H2;2*1H
InChIKeyXKPJIOSGPWTTCF-UHFFFAOYSA-N
MW471.90 g/mol
LogP5.36
Rot. Bonds6

About 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride

4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride (PubChem CID 70620318) has the molecular formula C24H33Cl3N2O and a molecular weight of 471.90 g/mol. Its IUPAC name is 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
PubChem CID70620318
Molecular FormulaC24H33Cl3N2O
Molecular Weight471.90 g/mol
Exact Mass470.17
IUPAC Name4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
SMILESCl.Cl.Clc1ccc(C(c2ccccc2)C2CCCN(CCN3CCOCC3)C2)cc1
InChIInChI=1S/C24H31ClN2O.2ClH/c25-23-10-8-21(9-11-23)24(20-5-2-1-3-6-20)22-7-4-12-27(19-22)14-13-26-15-17-28-18-16-26;;/h1-3,5-6,8-11,22,24H,4,7,12-19H2;2*1H
InChIKeyXKPJIOSGPWTTCF-UHFFFAOYSA-N
XLogP5.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
(1S,2S)-1-(4-chlorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 911541
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid
CID 173212043
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride (CID 70620318) is 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride is Cl.Cl.Clc1ccc(C(c2ccccc2)C2CCCN(CCN3CCOCC3)C2)cc1.
What is the InChIKey of 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride?
The InChIKey is XKPJIOSGPWTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O.2ClH/c25-23-10-8-21(9-11-23)24(20-5-2-1-3-6-20)22-7-4-12-27(19-22)14-13-26-15-17-28-18-16-26;;/h1-3,5-6,8-11,22,24H,4,7,12-19H2;2*1H.
What are the key properties of 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride?
4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride has a molecular weight of 471.90 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 70620318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).