1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine

C17H26ClN3 — CID 114852089

IUPAC1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)ccc2CNC2CC2)C1
InChIInChI=1S/C17H26ClN3/c1-20(2)16-4-3-9-21(12-16)17-10-14(18)6-5-13(17)11-19-15-7-8-15/h5-6,10,15-16,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyGPOLRZUOLNMCKK-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.12
Rot. Bonds5

About 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine

1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 114852089) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
PubChem CID114852089
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)ccc2CNC2CC2)C1
InChIInChI=1S/C17H26ClN3/c1-20(2)16-4-3-9-21(12-16)17-10-14(18)6-5-13(17)11-19-15-7-8-15/h5-6,10,15-16,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyGPOLRZUOLNMCKK-UHFFFAOYSA-N
XLogP3.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 114846746
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
1-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 81247494
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[4-chloro-2-(3-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 114847307
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853355
5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77109614
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine (CID 114852089) is 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cc(Cl)ccc2CNC2CC2)C1.
What is the InChIKey of 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is GPOLRZUOLNMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-20(2)16-4-3-9-21(12-16)17-10-14(18)6-5-13(17)11-19-15-7-8-15/h5-6,10,15-16,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine?
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 307.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114852089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).