4-(3-propan-2-yloxyphenyl)-1-propylpiperidine

C17H27NO — CID 71653291

IUPAC4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C17H27NO/c1-4-10-18-11-8-15(9-12-18)16-6-5-7-17(13-16)19-14(2)3/h5-7,13-15H,4,8-12H2,1-3H3
InChIKeyCGNHEDHHAPQRTP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds5

About 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine

4-(3-propan-2-yloxyphenyl)-1-propylpiperidine (PubChem CID 71653291) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
PubChem CID71653291
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C17H27NO/c1-4-10-18-11-8-15(9-12-18)16-6-5-7-17(13-16)19-14(2)3/h5-7,13-15H,4,8-12H2,1-3H3
InChIKeyCGNHEDHHAPQRTP-UHFFFAOYSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine 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

3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
3-(3-propan-2-yloxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538506
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
[3-(1-propylpiperidin-3-yl)phenyl] 2,2-dimethylpropanoate
CID 23045628
[3-[(3S)-1-propylpiperidin-3-yl]phenyl] 2,2-dimethylpropanoate
CID 70348607
4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
CID 71653729
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
1-ethyl-2-[(3-propan-2-yloxyphenyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019975
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine?
The IUPAC name of 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine (CID 71653291) is 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine.
What is the SMILES notation for 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine?
The canonical SMILES for 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine is CCCN1CCC(c2cccc(OC(C)C)c2)CC1.
What is the InChIKey of 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine?
The InChIKey is CGNHEDHHAPQRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-18-11-8-15(9-12-18)16-6-5-7-17(13-16)19-14(2)3/h5-7,13-15H,4,8-12H2,1-3H3.
What are the key properties of 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine?
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxyphenyl)-1-propylpiperidine is sourced from PubChem (CID 71653291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).