[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C26H34N2O3 — CID 99799358

IUPAC[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(NCc2cccc(OCC3CCCCC3)c2)cc1)N1CCC(O)CC1
InChIInChI=1S/C26H34N2O3/c29-24-13-15-28(16-14-24)26(30)22-9-11-23(12-10-22)27-18-21-7-4-8-25(17-21)31-19-20-5-2-1-3-6-20/h4,7-12,17,20,24,27,29H,1-3,5-6,13-16,18-19H2
InChIKeyCFXJRDYGPIXKSH-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.85
Rot. Bonds7

About [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 99799358) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID99799358
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(NCc2cccc(OCC3CCCCC3)c2)cc1)N1CCC(O)CC1
InChIInChI=1S/C26H34N2O3/c29-24-13-15-28(16-14-24)26(30)22-9-11-23(12-10-22)27-18-21-7-4-8-25(17-21)31-19-20-5-2-1-3-6-20/h4,7-12,17,20,24,27,29H,1-3,5-6,13-16,18-19H2
InChIKeyCFXJRDYGPIXKSH-UHFFFAOYSA-N
XLogP4.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
4-[[3-(cyclohexylmethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126922
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 99799358) is [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(NCc2cccc(OCC3CCCCC3)c2)cc1)N1CCC(O)CC1.
What is the InChIKey of [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is CFXJRDYGPIXKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c29-24-13-15-28(16-14-24)26(30)22-9-11-23(12-10-22)27-18-21-7-4-8-25(17-21)31-19-20-5-2-1-3-6-20/h4,7-12,17,20,24,27,29H,1-3,5-6,13-16,18-19H2.
What are the key properties of [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 422.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 99799358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).