[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone

C15H29N3O — CID 62808710

IUPAC[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C15H29N3O/c1-2-6-17-7-9-18(10-8-17)15(19)14-5-3-4-13(11-14)12-16/h13-14H,2-12,16H2,1H3
InChIKeySVYWAZVOJJWKKZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.31
Rot. Bonds4

About [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone

[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 62808710) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
PubChem CID62808710
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCCC(CN)C2)CC1
InChIInChI=1S/C15H29N3O/c1-2-6-17-7-9-18(10-8-17)15(19)14-5-3-4-13(11-14)12-16/h13-14H,2-12,16H2,1H3
InChIKeySVYWAZVOJJWKKZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175176
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone (CID 62808710) is [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCCC(CN)C2)CC1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is SVYWAZVOJJWKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-6-17-7-9-18(10-8-17)15(19)14-5-3-4-13(11-14)12-16/h13-14H,2-12,16H2,1H3.
What are the key properties of [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone?
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 62808710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).