[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C18H26N2O2 — CID 132970853

IUPAC[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCC2CCC2)cc1)N1CCC(CO)CC1
InChIInChI=1S/C18H26N2O2/c21-13-15-8-10-20(11-9-15)18(22)16-4-6-17(7-5-16)19-12-14-2-1-3-14/h4-7,14-15,19,21H,1-3,8-13H2
InChIKeySWMGESVZMVOBCV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.74
Rot. Bonds5

About [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 132970853) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID132970853
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCC2CCC2)cc1)N1CCC(CO)CC1
InChIInChI=1S/C18H26N2O2/c21-13-15-8-10-20(11-9-15)18(22)16-4-6-17(7-5-16)19-12-14-2-1-3-14/h4-7,14-15,19,21H,1-3,8-13H2
InChIKeySWMGESVZMVOBCV-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
4-(cyclobutylmethylamino)benzamide
CID 65459398
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
tert-butyl 4-[[4-[4-(3-methoxy-3-oxopropyl)piperidine-1-carbonyl]anilino]methyl]piperidine-1-carboxylate
CID 67803080
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
(3-amino-4-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61092791
[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methylamino]phenyl]phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 90017314
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 132970853) is [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(NCC2CCC2)cc1)N1CCC(CO)CC1.
What is the InChIKey of [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SWMGESVZMVOBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-13-15-8-10-20(11-9-15)18(22)16-4-6-17(7-5-16)19-12-14-2-1-3-14/h4-7,14-15,19,21H,1-3,8-13H2.
What are the key properties of [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 132970853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).