1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine

C16H26N2 — CID 70843755

IUPAC1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
SMILESCC1=CCC(N2CCC(N3CCCC3)CC2)C=C1
InChIInChI=1S/C16H26N2/c1-14-4-6-15(7-5-14)18-12-8-16(9-13-18)17-10-2-3-11-17/h4-6,15-16H,2-3,7-13H2,1H3
InChIKeyRTQRAIDMKQNZOU-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine

1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 70843755) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
PubChem CID70843755
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
SMILESCC1=CCC(N2CCC(N3CCCC3)CC2)C=C1
InChIInChI=1S/C16H26N2/c1-14-4-6-15(7-5-14)18-12-8-16(9-13-18)17-10-2-3-11-17/h4-6,15-16H,2-3,7-13H2,1H3
InChIKeyRTQRAIDMKQNZOU-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine (CID 70843755) is 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine is CC1=CCC(N2CCC(N3CCCC3)CC2)C=C1.
What is the InChIKey of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is RTQRAIDMKQNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-4-6-15(7-5-14)18-12-8-16(9-13-18)17-10-2-3-11-17/h4-6,15-16H,2-3,7-13H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 70843755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).