N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine

C16H25ClN2 — CID 62908479

IUPACN-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h7-8,12-13,18H,3-6,9-11H2,1-2H3
InChIKeyKFFRUGPTOHAHRC-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine

N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 62908479) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
PubChem CID62908479
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h7-8,12-13,18H,3-6,9-11H2,1-2H3
InChIKeyKFFRUGPTOHAHRC-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106670009
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 62909344
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958837
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62911199
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
N-[1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethyl]propan-1-amine
CID 63622984
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine (CID 62908479) is N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is KFFRUGPTOHAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h7-8,12-13,18H,3-6,9-11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine?
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 62908479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).