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

C23H38ClN3O — CID 120914320

IUPACN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CCN(Cc2cccc(CNC3CCCC3C3COCCN3)c2)CC1.Cl
InChIInChI=1S/C23H37N3O.ClH/c1-18-8-11-26(12-9-18)16-20-5-2-4-19(14-20)15-25-22-7-3-6-21(22)23-17-27-13-10-24-23;/h2,4-5,14,18,21-25H,3,6-13,15-17H2,1H3;1H
InChIKeyIADMINGTDPVKDY-UHFFFAOYSA-N
MW408.03 g/mol
LogP3.59
Rot. Bonds6

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

N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914320) has the molecular formula C23H38ClN3O and a molecular weight of 408.03 g/mol. Its IUPAC name is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914320
Molecular FormulaC23H38ClN3O
Molecular Weight408.03 g/mol
Exact Mass407.27
IUPAC NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CCN(Cc2cccc(CNC3CCCC3C3COCCN3)c2)CC1.Cl
InChIInChI=1S/C23H37N3O.ClH/c1-18-8-11-26(12-9-18)16-20-5-2-4-19(14-20)15-25-22-7-3-6-21(22)23-17-27-13-10-24-23;/h2,4-5,14,18,21-25H,3,6-13,15-17H2,1H3;1H
InChIKeyIADMINGTDPVKDY-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915193
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915033
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120914232
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916423
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915573
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914216
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914320) is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC1CCN(Cc2cccc(CNC3CCCC3C3COCCN3)c2)CC1.Cl.
What is the InChIKey of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is IADMINGTDPVKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O.ClH/c1-18-8-11-26(12-9-18)16-20-5-2-4-19(14-20)15-25-22-7-3-6-21(22)23-17-27-13-10-24-23;/h2,4-5,14,18,21-25H,3,6-13,15-17H2,1H3;1H.
What are the key properties of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 408.03 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).