4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine

C21H32N2 — CID 141158288

IUPAC4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2ccc(C3=CC(C)(C)CN3)cc2)CC1
InChIInChI=1S/C21H32N2/c1-16(2)14-23-11-9-18(10-12-23)17-5-7-19(8-6-17)20-13-21(3,4)15-22-20/h5-8,13,16,18,22H,9-12,14-15H2,1-4H3
InChIKeyDNQHIQSAPHXXKD-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.49
Rot. Bonds4

About 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine

4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine (PubChem CID 141158288) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine
PubChem CID141158288
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2ccc(C3=CC(C)(C)CN3)cc2)CC1
InChIInChI=1S/C21H32N2/c1-16(2)14-23-11-9-18(10-12-23)17-5-7-19(8-6-17)20-13-21(3,4)15-22-20/h5-8,13,16,18,22H,9-12,14-15H2,1-4H3
InChIKeyDNQHIQSAPHXXKD-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine (CID 141158288) is 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(c2ccc(C3=CC(C)(C)CN3)cc2)CC1.
What is the InChIKey of 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine?
The InChIKey is DNQHIQSAPHXXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-16(2)14-23-11-9-18(10-12-23)17-5-7-19(8-6-17)20-13-21(3,4)15-22-20/h5-8,13,16,18,22H,9-12,14-15H2,1-4H3.
What are the key properties of 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine?
4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine has a molecular weight of 312.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 141158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).