N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C24H40ClN3O — CID 120915590

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CC(C)CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)C1.Cl
InChIInChI=1S/C24H39N3O.ClH/c1-18-12-19(2)15-27(14-18)16-21-8-6-20(7-9-21)13-26-23-5-3-4-22(23)24-17-28-11-10-25-24;/h6-9,18-19,22-26H,3-5,10-17H2,1-2H3;1H
InChIKeyHRQDFLLLDZWXKZ-UHFFFAOYSA-N
MW422.06 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915590) has the molecular formula C24H40ClN3O and a molecular weight of 422.06 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915590
Molecular FormulaC24H40ClN3O
Molecular Weight422.06 g/mol
Exact Mass421.29
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC1CC(C)CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)C1.Cl
InChIInChI=1S/C24H39N3O.ClH/c1-18-12-19(2)15-27(14-18)16-21-8-6-20(7-9-21)13-26-23-5-3-4-22(23)24-17-28-11-10-25-24;/h6-9,18-19,22-26H,3-5,10-17H2,1-2H3;1H
InChIKeyHRQDFLLLDZWXKZ-UHFFFAOYSA-N
XLogP3.83
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.06
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915590) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC1CC(C)CN(Cc2ccc(CNC3CCCC3C3COCCN3)cc2)C1.Cl.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is HRQDFLLLDZWXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O.ClH/c1-18-12-19(2)15-27(14-18)16-21-8-6-20(7-9-21)13-26-23-5-3-4-22(23)24-17-28-11-10-25-24;/h6-9,18-19,22-26H,3-5,10-17H2,1-2H3;1H.
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 422.06 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).