[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone

C19H34N2O4 — CID 140644306

IUPAC[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
SMILESNCC1CCCC(C2CCN(C(=O)C3CC(O)C(O)C(O)C3)CC2)C1
InChIInChI=1S/C19H34N2O4/c20-11-12-2-1-3-14(8-12)13-4-6-21(7-5-13)19(25)15-9-16(22)18(24)17(23)10-15/h12-18,22-24H,1-11,20H2
InChIKeyLCNRZNYRAKDUDE-UHFFFAOYSA-N
MW354.49 g/mol
LogP0.48
Rot. Bonds3

About [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone

[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone (PubChem CID 140644306) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
PubChem CID140644306
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
SMILESNCC1CCCC(C2CCN(C(=O)C3CC(O)C(O)C(O)C3)CC2)C1
InChIInChI=1S/C19H34N2O4/c20-11-12-2-1-3-14(8-12)13-4-6-21(7-5-13)19(25)15-9-16(22)18(24)17(23)10-15/h12-18,22-24H,1-11,20H2
InChIKeyLCNRZNYRAKDUDE-UHFFFAOYSA-N
XLogP0.48
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
CID 140646765
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 140644416
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 140646753
[7-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]spiro[3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-1,1'-azolidin-1-ium]-2-yl]boronic acid
CID 163455750
(E)-1-[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-3-(4-cyclopropyl-3-hydroxycyclohexyl)prop-2-en-1-one
CID 140646812
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[5-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]boronic acid
CID 140644379
[4-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]boronic acid
CID 140646806
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-[hydroxy(dimethyl)silyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanone
CID 140644455
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[2-[[hydroxy(dimethyl)silyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanone
CID 140644467
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone?
The IUPAC name of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone (CID 140644306) is [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone is NCC1CCCC(C2CCN(C(=O)C3CC(O)C(O)C(O)C3)CC2)C1.
What is the InChIKey of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone?
The InChIKey is LCNRZNYRAKDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c20-11-12-2-1-3-14(8-12)13-4-6-21(7-5-13)19(25)15-9-16(22)18(24)17(23)10-15/h12-18,22-24H,1-11,20H2.
What are the key properties of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone?
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone has a molecular weight of 354.49 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone is sourced from PubChem (CID 140644306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).