N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine

C15H23ClN2 — CID 43665551

IUPACN-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11-10-18(3)12(2)8-15(11)17-9-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,8-10H2,1-3H3
InChIKeyXHBSLYKDROAQHJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine

N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665551) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665551
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11-10-18(3)12(2)8-15(11)17-9-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,8-10H2,1-3H3
InChIKeyXHBSLYKDROAQHJ-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
N-(4-chlorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665402
1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine
CID 61000035
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
3-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 54936135
N-[2-(4-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665339
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 60859803
1,2,5-trimethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-4-amine
CID 62847170
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 6544101
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
CID 107230022

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine (CID 43665551) is N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is XHBSLYKDROAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-10-18(3)12(2)8-15(11)17-9-13-4-6-14(16)7-5-13/h4-7,11-12,15,17H,8-10H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).