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

C17H27ClN2 — CID 43677752

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H27ClN2/c1-12-11-20(4)14(3)10-17(12)19-13(2)9-15-5-7-16(18)8-6-15/h5-8,12-14,17,19H,9-11H2,1-4H3
InChIKeyVKEKQEPZAKYLLR-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.59
Rot. Bonds4

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

N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43677752) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID43677752
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H27ClN2/c1-12-11-20(4)14(3)10-17(12)19-13(2)9-15-5-7-16(18)8-6-15/h5-8,12-14,17,19H,9-11H2,1-4H3
InChIKeyVKEKQEPZAKYLLR-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
N-(4-chlorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665402
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
CID 79942170
N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320624
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol
CID 115717016
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 81368219

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine (CID 43677752) is N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine is CC(Cc1ccc(Cl)cc1)NC1CC(C)N(C)CC1C.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is VKEKQEPZAKYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12-11-20(4)14(3)10-17(12)19-13(2)9-15-5-7-16(18)8-6-15/h5-8,12-14,17,19H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 294.87 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).