[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone

C27H29ClN2O3 — CID 112803566

IUPAC[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone
SMILESCOc1cc(CNC2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN2O3/c1-32-26-17-21(9-12-25(26)33-19-20-7-10-23(28)11-8-20)18-29-24-13-15-30(16-14-24)27(31)22-5-3-2-4-6-22/h2-12,17,24,29H,13-16,18-19H2,1H3
InChIKeyAEDHLGABQBDOJM-UHFFFAOYSA-N
MW464.99 g/mol
LogP5.32
Rot. Bonds8

About [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone

[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 112803566) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID112803566
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC Name[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone
SMILESCOc1cc(CNC2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN2O3/c1-32-26-17-21(9-12-25(26)33-19-20-7-10-23(28)11-8-20)18-29-24-13-15-30(16-14-24)27(31)22-5-3-2-4-6-22/h2-12,17,24,29H,13-16,18-19H2,1H3
InChIKeyAEDHLGABQBDOJM-UHFFFAOYSA-N
XLogP5.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
azepan-1-yl-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]methanone
CID 55407568
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
4-[[4-[(4-chloroanilino)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 3588361
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158805

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone (CID 112803566) is [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone is COc1cc(CNC2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is AEDHLGABQBDOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-32-26-17-21(9-12-25(26)33-19-20-7-10-23(28)11-8-20)18-29-24-13-15-30(16-14-24)27(31)22-5-3-2-4-6-22/h2-12,17,24,29H,13-16,18-19H2,1H3.
What are the key properties of [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone?
[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 464.99 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 112803566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).