4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine

C19H30N2O — CID 168512403

IUPAC4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine
SMILESCc1cc(N2CCCC2)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C19H30N2O/c1-14(2)22-19-13-17(16-6-8-20-9-7-16)15(3)12-18(19)21-10-4-5-11-21/h12-14,16,20H,4-11H2,1-3H3
InChIKeyAQXPOKUNZMAAFZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.85
Rot. Bonds4

About 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine

4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine (PubChem CID 168512403) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine
PubChem CID168512403
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine
SMILESCc1cc(N2CCCC2)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C19H30N2O/c1-14(2)22-19-13-17(16-6-8-20-9-7-16)15(3)12-18(19)21-10-4-5-11-21/h12-14,16,20H,4-11H2,1-3H3
InChIKeyAQXPOKUNZMAAFZ-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-4-propan-2-yloxyphenyl)azepane
CID 82296050
5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)aniline
CID 121444554
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
4-(4-tert-butyl-2-methyl-5-propan-2-yloxyphenyl)-1-methylpiperidine
CID 159374429
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
2-cyclopropyl-6-piperazin-1-yl-4-propan-2-yloxybenzonitrile
CID 171779994
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine
CID 167312393
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
4-(4-ethoxy-2,5-dimethylphenyl)azepane
CID 82296026

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine?
The IUPAC name of 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine (CID 168512403) is 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine.
What is the SMILES notation for 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine?
The canonical SMILES for 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine is Cc1cc(N2CCCC2)c(OC(C)C)cc1C1CCNCC1.
What is the InChIKey of 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine?
The InChIKey is AQXPOKUNZMAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)22-19-13-17(16-6-8-20-9-7-16)15(3)12-18(19)21-10-4-5-11-21/h12-14,16,20H,4-11H2,1-3H3.
What are the key properties of 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine?
4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine has a molecular weight of 302.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)piperidine is sourced from PubChem (CID 168512403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).