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

C14H24N2 — CID 59176366

IUPAC4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2=NC=CC2)CC1
InChIInChI=1S/C14H24N2/c1-12(2)10-13-5-8-16(9-6-13)11-14-4-3-7-15-14/h3,7,12-13H,4-6,8-11H2,1-2H3
InChIKeyPCMNHMHDPLQCTO-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds4

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

4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine (PubChem CID 59176366) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
PubChem CID59176366
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2=NC=CC2)CC1
InChIInChI=1S/C14H24N2/c1-12(2)10-13-5-8-16(9-6-13)11-14-4-3-7-15-14/h3,7,12-13H,4-6,8-11H2,1-2H3
InChIKeyPCMNHMHDPLQCTO-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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Related Compounds

(4aS,7aR)-2-(3-ethyl-2-methyl-3,4-dihydropyridin-5-yl)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridine
CID 57177100
1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
CID 129029109
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
CID 139538966
ethane;N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923227
N-[(E)-2-bromoprop-1-enyl]-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 143003989
4-[3-(4-Butylpiperidin-1-yl)propyl]-3,4-dihydropyridine
CID 151401255
(Z)-2-[1-(1-methylpiperidin-4-yl)prop-2-enylideneamino]prop-1-en-1-amine
CID 156048292
2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-3H-pyrrole
CID 169933041
4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
CID 170203953
N-ethenyl-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 172350879

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine (CID 59176366) is 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine is CC(C)CC1CCN(CC2=NC=CC2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine?
The InChIKey is PCMNHMHDPLQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)10-13-5-8-16(9-6-13)11-14-4-3-7-15-14/h3,7,12-13H,4-6,8-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine?
4-(2-methylpropyl)-1-(3H-pyrrol-2-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-2-ylmethyl)piperidine is sourced from PubChem (CID 59176366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).