(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride

C16H31Cl2N3O2 — CID 119897515

IUPAC(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N2CCN(CC3CCOC3)CC2)C1
InChIInChI=1S/C16H29N3O2.2ClH/c17-15-3-1-2-14(10-15)16(20)19-7-5-18(6-8-19)11-13-4-9-21-12-13;;/h13-15H,1-12,17H2;2*1H
InChIKeyUDICSBBAJXTEBY-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.53
Rot. Bonds3

About (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride

(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119897515) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119897515
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N2CCN(CC3CCOC3)CC2)C1
InChIInChI=1S/C16H29N3O2.2ClH/c17-15-3-1-2-14(10-15)16(20)19-7-5-18(6-8-19)11-13-4-9-21-12-13;;/h13-15H,1-12,17H2;2*1H
InChIKeyUDICSBBAJXTEBY-UHFFFAOYSA-N
XLogP1.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
cyclopentyl-[3-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]sulfonylazetidin-1-yl]methanone
CID 97348653
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
2-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844122
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride (CID 119897515) is (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)N2CCN(CC3CCOC3)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is UDICSBBAJXTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.2ClH/c17-15-3-1-2-14(10-15)16(20)19-7-5-18(6-8-19)11-13-4-9-21-12-13;;/h13-15H,1-12,17H2;2*1H.
What are the key properties of (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride?
(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 368.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119897515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).