1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine

C14H20ClFN2 — CID 107370782

IUPAC1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C14H20ClFN2/c1-10(2)17-13-4-3-5-18(9-13)14-7-11(15)6-12(16)8-14/h6-8,10,13,17H,3-5,9H2,1-2H3
InChIKeyYVLHNUMMVQHRHE-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine

1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine (PubChem CID 107370782) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
PubChem CID107370782
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C14H20ClFN2/c1-10(2)17-13-4-3-5-18(9-13)14-7-11(15)6-12(16)8-14/h6-8,10,13,17H,3-5,9H2,1-2H3
InChIKeyYVLHNUMMVQHRHE-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 81271882
1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 82819911
1-[3-(dimethylamino)phenyl]-N-propan-2-ylpiperidin-3-amine
CID 115379191
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
3-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 114454980
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
2-[[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]amino]acetonitrile
CID 117004802
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine (CID 107370782) is 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine is CC(C)NC1CCCN(c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is YVLHNUMMVQHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(2)17-13-4-3-5-18(9-13)14-7-11(15)6-12(16)8-14/h6-8,10,13,17H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine?
1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 270.78 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 107370782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).