1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride

C21H32ClF2N3O — CID 120915896

IUPAC1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride
SMILESCl.Fc1cccc(F)c1CN1CCCC(NC2CCCC2C2COCCN2)C1
InChIInChI=1S/C21H31F2N3O.ClH/c22-18-6-2-7-19(23)17(18)13-26-10-3-4-15(12-26)25-20-8-1-5-16(20)21-14-27-11-9-24-21;/h2,6-7,15-16,20-21,24-25H,1,3-5,8-14H2;1H
InChIKeyWHDUTEIIXGJBQK-UHFFFAOYSA-N
MW415.96 g/mol
LogP3.10
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride

1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride (PubChem CID 120915896) has the molecular formula C21H32ClF2N3O and a molecular weight of 415.96 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride
PubChem CID120915896
Molecular FormulaC21H32ClF2N3O
Molecular Weight415.96 g/mol
Exact Mass415.22
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride
SMILESCl.Fc1cccc(F)c1CN1CCCC(NC2CCCC2C2COCCN2)C1
InChIInChI=1S/C21H31F2N3O.ClH/c22-18-6-2-7-19(23)17(18)13-26-10-3-4-15(12-26)25-20-8-1-5-16(20)21-14-27-11-9-24-21;/h2,6-7,15-16,20-21,24-25H,1,3-5,8-14H2;1H
InChIKeyWHDUTEIIXGJBQK-UHFFFAOYSA-N
XLogP3.10
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.96
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine
CID 120914425
N-(2-morpholin-3-ylcyclopentyl)-1-pyridin-2-ylpiperidin-4-amine;hydrochloride
CID 120915468
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915573
1-[2-(difluoromethoxy)phenyl]-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine;hydrochloride
CID 120914520
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
N-cyclohexyl-4-[(2-morpholin-3-ylcyclopentyl)amino]piperidine-1-carboxamide;hydrochloride
CID 120916310
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979
1-(4-tert-butylphenyl)-N-(2-morpholin-3-ylcyclopentyl)piperidin-4-amine
CID 120914461
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
4-methyl-N-(2-morpholin-3-ylcyclopentyl)cyclohexan-1-amine
CID 120916251
3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916330

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride (CID 120915896) is 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride is Cl.Fc1cccc(F)c1CN1CCCC(NC2CCCC2C2COCCN2)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride?
The InChIKey is WHDUTEIIXGJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O.ClH/c22-18-6-2-7-19(23)17(18)13-26-10-3-4-15(12-26)25-20-8-1-5-16(20)21-14-27-11-9-24-21;/h2,6-7,15-16,20-21,24-25H,1,3-5,8-14H2;1H.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride?
1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride has a molecular weight of 415.96 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-(2-morpholin-3-ylcyclopentyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120915896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).