(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H26N2O2 — CID 107216903

IUPAC(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCCC(CCO)C2)CC1
InChIInChI=1S/C14H26N2O2/c15-13-5-3-12(4-6-13)14(18)16-8-1-2-11(10-16)7-9-17/h11-13,17H,1-10,15H2
InChIKeyMJLIUEUHIMMSFN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.12
Rot. Bonds3

About (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107216903) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107216903
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCCC(CCO)C2)CC1
InChIInChI=1S/C14H26N2O2/c15-13-5-3-12(4-6-13)14(18)16-8-1-2-11(10-16)7-9-17/h11-13,17H,1-10,15H2
InChIKeyMJLIUEUHIMMSFN-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106703940
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107216903) is (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is NC1CCC(C(=O)N2CCCC(CCO)C2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is MJLIUEUHIMMSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-13-5-3-12(4-6-13)14(18)16-8-1-2-11(10-16)7-9-17/h11-13,17H,1-10,15H2.
What are the key properties of (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107216903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).