(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine

C14H24N2 — CID 129268870

IUPAC(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCC1=CC(CN)CC=C1C1CCNCC1
InChIInChI=1S/C14H24N2/c1-2-12-9-11(10-15)3-4-14(12)13-5-7-16-8-6-13/h4,9,11,13,16H,2-3,5-8,10,15H2,1H3
InChIKeyLFKCTTLCCOYLOJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.23
Rot. Bonds3

About (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine

(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 129268870) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID129268870
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCC1=CC(CN)CC=C1C1CCNCC1
InChIInChI=1S/C14H24N2/c1-2-12-9-11(10-15)3-4-14(12)13-5-7-16-8-6-13/h4,9,11,13,16H,2-3,5-8,10,15H2,1H3
InChIKeyLFKCTTLCCOYLOJ-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine (CID 129268870) is (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine is CCC1=CC(CN)CC=C1C1CCNCC1.
What is the InChIKey of (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is LFKCTTLCCOYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-12-9-11(10-15)3-4-14(12)13-5-7-16-8-6-13/h4,9,11,13,16H,2-3,5-8,10,15H2,1H3.
What are the key properties of (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
(3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 220.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-piperidin-4-ylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 129268870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).