N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine

C14H20ClFN2 — CID 43716478

IUPACN-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyBAEICVNLHRETGW-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine

N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine (PubChem CID 43716478) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
PubChem CID43716478
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H20ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3
InChIKeyBAEICVNLHRETGW-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine (CID 43716478) is N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine?
The InChIKey is BAEICVNLHRETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-7-18-8-5-12(6-9-18)17-14-4-3-11(15)10-13(14)16/h3-4,10,12,17H,2,5-9H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine?
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 43716478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).