2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

C17H26N2 — CID 79984630

IUPAC2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cccc(C3CC3)c2)CC1
InChIInChI=1S/C17H26N2/c1-13-7-9-19(10-8-13)17(12-18)16-4-2-3-15(11-16)14-5-6-14/h2-4,11,13-14,17H,5-10,12,18H2,1H3
InChIKeyPFIBYASSSZKMJA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 79984630) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID79984630
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cccc(C3CC3)c2)CC1
InChIInChI=1S/C17H26N2/c1-13-7-9-19(10-8-13)17(12-18)16-4-2-3-15(11-16)14-5-6-14/h2-4,11,13-14,17H,5-10,12,18H2,1H3
InChIKeyPFIBYASSSZKMJA-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79983806
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 79969075
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 79984630) is 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2cccc(C3CC3)c2)CC1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is PFIBYASSSZKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-7-9-19(10-8-13)17(12-18)16-4-2-3-15(11-16)14-5-6-14/h2-4,11,13-14,17H,5-10,12,18H2,1H3.
What are the key properties of 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 79984630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).