N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine

C15H23ClN2 — CID 114847580

IUPACN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-12-13-11-14(16)6-7-15(13)18-9-4-3-5-10-18/h6-7,11,17H,2-5,8-10,12H2,1H3
InChIKeyBMTMTHAELUWWBC-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.83
Rot. Bonds5

About N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine

N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine (PubChem CID 114847580) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
PubChem CID114847580
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-2-8-17-12-13-11-14(16)6-7-15(13)18-9-4-3-5-10-18/h6-7,11,17H,2-5,8-10,12H2,1H3
InChIKeyBMTMTHAELUWWBC-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114847273
N-[[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 114851900
N-[[5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]propan-1-amine
CID 114850831
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851804
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
N-[[4-chloro-2-(3-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 114847307
N-[[5-chloro-2-(2,3-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 114853753

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine (CID 114847580) is N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is BMTMTHAELUWWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-8-17-12-13-11-14(16)6-7-15(13)18-9-4-3-5-10-18/h6-7,11,17H,2-5,8-10,12H2,1H3.
What are the key properties of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine?
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114847580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).