2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine

C18H30N2O — CID 19701549

IUPAC2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
SMILESCCC(CN)(CCN1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-3-18(15-19,10-13-20-11-5-4-6-12-20)16-8-7-9-17(14-16)21-2/h7-9,14H,3-6,10-13,15,19H2,1-2H3
InChIKeyAOIMMFBNUYFSMJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds7

About 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine

2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine (PubChem CID 19701549) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
PubChem CID19701549
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
SMILESCCC(CN)(CCN1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-3-18(15-19,10-13-20-11-5-4-6-12-20)16-8-7-9-17(14-16)21-2/h7-9,14H,3-6,10-13,15,19H2,1-2H3
InChIKeyAOIMMFBNUYFSMJ-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-methoxyphenyl)-4-piperazin-1-ylbutanenitrile
CID 139795471
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
CID 163960110

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine (CID 19701549) is 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine is CCC(CN)(CCN1CCCCC1)c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The InChIKey is AOIMMFBNUYFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-18(15-19,10-13-20-11-5-4-6-12-20)16-8-7-9-17(14-16)21-2/h7-9,14H,3-6,10-13,15,19H2,1-2H3.
What are the key properties of 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 19701549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).