N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine

C18H28N2O — CID 115307413

IUPACN-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1ccccc1OCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20-10-8-17(9-11-20)19-14-16-6-7-16/h2-5,16-17,19H,6-14H2,1H3
InChIKeyPFZPFVAQMJAURF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine (PubChem CID 115307413) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
PubChem CID115307413
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1ccccc1OCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20-10-8-17(9-11-20)19-14-16-6-7-16/h2-5,16-17,19H,6-14H2,1H3
InChIKeyPFZPFVAQMJAURF-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine (CID 115307413) is N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine is Cc1ccccc1OCCN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine?
The InChIKey is PFZPFVAQMJAURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20-10-8-17(9-11-20)19-14-16-6-7-16/h2-5,16-17,19H,6-14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 115307413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).