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

C15H23ClN2 — CID 114847574

IUPACN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-12(2)17-11-13-10-14(16)6-7-15(13)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3
InChIKeyOPSWAJDVQFHOGN-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.83
Rot. Bonds4

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

N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine (PubChem CID 114847574) 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-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
PubChem CID114847574
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-12(2)17-11-13-10-14(16)6-7-15(13)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3
InChIKeyOPSWAJDVQFHOGN-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 123727304
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
N-[[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 114853445
N-[[5-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 107457004
4-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-1,4-diazepan-2-one
CID 114851937
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
CID 114847580
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
[1-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 114853905

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine (CID 114847574) is N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine is CC(C)NCc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is OPSWAJDVQFHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(2)17-11-13-10-14(16)6-7-15(13)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine?
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.83, 4 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-2-amine is sourced from PubChem (CID 114847574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).