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

C18H28N2 — CID 43724333

IUPACN-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H28N2/c1-13-12-20(3)14(2)11-17(13)19-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3
InChIKeyDTDOIKLAWUHIAD-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds4

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

N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43724333) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID43724333
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H28N2/c1-13-12-20(3)14(2)11-17(13)19-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3
InChIKeyDTDOIKLAWUHIAD-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 81407226
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
CID 43665443
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 81368219
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665452
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
CID 64500445
N-(1-cyclohexylethyl)-1,2,5-trimethylpiperidin-4-amine
CID 55069404
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine (CID 43724333) is N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is DTDOIKLAWUHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-12-20(3)14(2)11-17(13)19-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine?
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43724333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).