4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine

C14H24N2 — CID 59176544

IUPAC4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2=CN=CC2)CC1
InChIInChI=1S/C14H24N2/c1-12(2)9-13-4-7-16(8-5-13)11-14-3-6-15-10-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeyWXZMOKBOQKXSMW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds4

About 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine

4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine (PubChem CID 59176544) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine
PubChem CID59176544
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2=CN=CC2)CC1
InChIInChI=1S/C14H24N2/c1-12(2)9-13-4-7-16(8-5-13)11-14-3-6-15-10-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3
InChIKeyWXZMOKBOQKXSMW-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine (CID 59176544) is 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine is CC(C)CC1CCN(CC2=CN=CC2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine?
The InChIKey is WXZMOKBOQKXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)9-13-4-7-16(8-5-13)11-14-3-6-15-10-14/h6,10,12-13H,3-5,7-9,11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine?
4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine has a molecular weight of 220.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine is sourced from PubChem (CID 59176544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).