N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C23H38ClN3O — CID 120914216

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CCN(C(CNC2CCCC2C2COCCN2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H37N3O.ClH/c1-18-10-13-26(14-11-18)23(19-6-3-2-4-7-19)16-25-21-9-5-8-20(21)22-17-27-15-12-24-22;/h2-4,6-7,18,20-25H,5,8-17H2,1H3;1H
InChIKeyRLIACEJKLIGXQL-UHFFFAOYSA-N
MW408.03 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914216) has the molecular formula C23H38ClN3O and a molecular weight of 408.03 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914216
Molecular FormulaC23H38ClN3O
Molecular Weight408.03 g/mol
Exact Mass407.27
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CCN(C(CNC2CCCC2C2COCCN2)c2ccccc2)CC1.Cl
InChIInChI=1S/C23H37N3O.ClH/c1-18-10-13-26(14-11-18)23(19-6-3-2-4-7-19)16-25-21-9-5-8-20(21)22-17-27-15-12-24-22;/h2-4,6-7,18,20-25H,5,8-17H2,1H3;1H
InChIKeyRLIACEJKLIGXQL-UHFFFAOYSA-N
XLogP3.63
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.03
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914402
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
CID 120914113
1-(2-methoxyphenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914206
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915573
1-(3,5-dichlorophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914540
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
2-morpholin-3-yl-N-[(1-phenylcyclobutyl)methyl]cyclopentan-1-amine
CID 120915057

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914216) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC1CCN(C(CNC2CCCC2C2COCCN2)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is RLIACEJKLIGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O.ClH/c1-18-10-13-26(14-11-18)23(19-6-3-2-4-7-19)16-25-21-9-5-8-20(21)22-17-27-15-12-24-22;/h2-4,6-7,18,20-25H,5,8-17H2,1H3;1H.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 408.03 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).