3-[(1-methylpyrrol-3-yl)methyl]piperidine

C11H18N2 — CID 82280682

IUPAC3-[(1-methylpyrrol-3-yl)methyl]piperidine
SMILESCn1ccc(CC2CCCNC2)c1
InChIInChI=1S/C11H18N2/c1-13-6-4-11(9-13)7-10-3-2-5-12-8-10/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyFMEDRRMDFMYHQX-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.57
Rot. Bonds2

About 3-[(1-methylpyrrol-3-yl)methyl]piperidine

3-[(1-methylpyrrol-3-yl)methyl]piperidine (PubChem CID 82280682) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-[(1-methylpyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(1-methylpyrrol-3-yl)methyl]piperidine
PubChem CID82280682
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-[(1-methylpyrrol-3-yl)methyl]piperidine
SMILESCn1ccc(CC2CCCNC2)c1
InChIInChI=1S/C11H18N2/c1-13-6-4-11(9-13)7-10-3-2-5-12-8-10/h4,6,9-10,12H,2-3,5,7-8H2,1H3
InChIKeyFMEDRRMDFMYHQX-UHFFFAOYSA-N
XLogP1.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82049038
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CID 82500378
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
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3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(1-methylpyrrol-3-yl)methyl]piperidine (CID 82280682) is 3-[(1-methylpyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(1-methylpyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(1-methylpyrrol-3-yl)methyl]piperidine is Cn1ccc(CC2CCCNC2)c1.
What is the InChIKey of 3-[(1-methylpyrrol-3-yl)methyl]piperidine?
The InChIKey is FMEDRRMDFMYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-6-4-11(9-13)7-10-3-2-5-12-8-10/h4,6,9-10,12H,2-3,5,7-8H2,1H3.
What are the key properties of 3-[(1-methylpyrrol-3-yl)methyl]piperidine?
3-[(1-methylpyrrol-3-yl)methyl]piperidine has a molecular weight of 178.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 82280682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).