1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine

C18H29NO — CID 21127479

IUPAC1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine
SMILESCCCCOC(CN1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-4-14-20-18(15-19-12-6-5-7-13-19)17-10-8-16(2)9-11-17/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyNVEMJMVKKXBDLE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds7

About 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine

1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine (PubChem CID 21127479) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine
PubChem CID21127479
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine
SMILESCCCCOC(CN1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-4-14-20-18(15-19-12-6-5-7-13-19)17-10-8-16(2)9-11-17/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyNVEMJMVKKXBDLE-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
CID 76969625
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
butyl 4-[4-(4-methylphenyl)piperazin-1-yl]-3-piperidin-1-ylbutanoate
CID 168791951
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 21128241
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631

Frequently Asked Questions

What is the IUPAC name of 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine (CID 21127479) is 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine is CCCCOC(CN1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine?
The InChIKey is NVEMJMVKKXBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-14-20-18(15-19-12-6-5-7-13-19)17-10-8-16(2)9-11-17/h8-11,18H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine?
1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butoxy-2-(4-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 21127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).