2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine

C16H25NO — CID 54932964

IUPAC2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
SMILESCC(C)Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)18-16-10-7-14(8-11-16)6-9-15-5-3-4-12-17-15/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3
InChIKeyIHDTXDTVUWVSTF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine

2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine (PubChem CID 54932964) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
PubChem CID54932964
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
SMILESCC(C)Oc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)18-16-10-7-14(8-11-16)6-9-15-5-3-4-12-17-15/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3
InChIKeyIHDTXDTVUWVSTF-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine?
The IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine (CID 54932964) is 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine is CC(C)Oc1ccc(CCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine?
The InChIKey is IHDTXDTVUWVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)18-16-10-7-14(8-11-16)6-9-15-5-3-4-12-17-15/h7-8,10-11,13,15,17H,3-6,9,12H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine?
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine is sourced from PubChem (CID 54932964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).