1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine

C13H22N2 — CID 162241562

IUPAC1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine
SMILESCC(C)N1CCC(CC2=CCC=N2)CC1
InChIInChI=1S/C13H22N2/c1-11(2)15-8-5-12(6-9-15)10-13-4-3-7-14-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyMSBMXJUKQIOFBT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.86
Rot. Bonds3

About 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine

1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine (PubChem CID 162241562) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine
PubChem CID162241562
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine
SMILESCC(C)N1CCC(CC2=CCC=N2)CC1
InChIInChI=1S/C13H22N2/c1-11(2)15-8-5-12(6-9-15)10-13-4-3-7-14-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3
InChIKeyMSBMXJUKQIOFBT-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
N-[(Z)-5-(5,5-difluoro-1,3-dimethylpiperidin-2-yl)pent-2-en-3-yl]propan-1-imine
CID 167042433
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
1-[(1S)-1-cyclohexylethyl]-5-methyl-3H-pyrrol-1-ium
CID 59065389
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
1-methyl-4-(3-propyl-3H-pyrrol-5-yl)piperidine
CID 142001405
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
3-chloro-7-(1-propan-2-ylpiperidin-4-yl)-5H-1,4-diazepine
CID 145325426
Ethane;1-methyl-6-[(4-methylpiperidin-1-yl)methyl]-3,4-dihydropyridin-1-ium
CID 153586418

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine?
The IUPAC name of 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine (CID 162241562) is 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine.
What is the SMILES notation for 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine?
The canonical SMILES for 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine is CC(C)N1CCC(CC2=CCC=N2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine?
The InChIKey is MSBMXJUKQIOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)15-8-5-12(6-9-15)10-13-4-3-7-14-13/h4,7,11-12H,3,5-6,8-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine?
1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine has a molecular weight of 206.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(3H-pyrrol-5-ylmethyl)piperidine is sourced from PubChem (CID 162241562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).