1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine

C18H28N2O — CID 43747073

IUPAC1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(C)cc1C(C)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-13-4-7-18(21-3)17(12-13)14(2)19-15-8-10-20(11-9-15)16-5-6-16/h4,7,12,14-16,19H,5-6,8-11H2,1-3H3
InChIKeyRKWJIHAOCYMMIH-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine

1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 43747073) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
PubChem CID43747073
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(C)cc1C(C)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-13-4-7-18(21-3)17(12-13)14(2)19-15-8-10-20(11-9-15)16-5-6-16/h4,7,12,14-16,19H,5-6,8-11H2,1-3H3
InChIKeyRKWJIHAOCYMMIH-UHFFFAOYSA-N
XLogP3.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]piperidin-4-amine
CID 43791300
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine (CID 43747073) is 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine is COc1ccc(C)cc1C(C)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is RKWJIHAOCYMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-4-7-18(21-3)17(12-13)14(2)19-15-8-10-20(11-9-15)16-5-6-16/h4,7,12,14-16,19H,5-6,8-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine?
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43747073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).