1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine

C18H30N2 — CID 69132456

IUPAC1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine
SMILESCC1C(CN2CCCCC2)=CC=C1CN1CCCCC1
InChIInChI=1S/C18H30N2/c1-16-17(14-19-10-4-2-5-11-19)8-9-18(16)15-20-12-6-3-7-13-20/h8-9,16H,2-7,10-15H2,1H3
InChIKeyXJXJTYCMBYTEAY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds4

About 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine

1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine (PubChem CID 69132456) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine
PubChem CID69132456
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine
SMILESCC1C(CN2CCCCC2)=CC=C1CN1CCCCC1
InChIInChI=1S/C18H30N2/c1-16-17(14-19-10-4-2-5-11-19)8-9-18(16)15-20-12-6-3-7-13-20/h8-9,16H,2-7,10-15H2,1H3
InChIKeyXJXJTYCMBYTEAY-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine?
The IUPAC name of 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine (CID 69132456) is 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine is CC1C(CN2CCCCC2)=CC=C1CN1CCCCC1.
What is the InChIKey of 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine?
The InChIKey is XJXJTYCMBYTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-17(14-19-10-4-2-5-11-19)8-9-18(16)15-20-12-6-3-7-13-20/h8-9,16H,2-7,10-15H2,1H3.
What are the key properties of 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine?
1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 69132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).