(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

C12H20N2 — CID 89474047

IUPAC(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCN1CCC(C2=CC[C@H](N)C=C2)CC1
InChIInChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3/t12-/m1/s1
InChIKeyGPNUELOYUSLBDR-GFCCVEGCSA-N
MW192.31 g/mol
LogP1.54
Rot. Bonds1

About (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 89474047) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
PubChem CID89474047
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCN1CCC(C2=CC[C@H](N)C=C2)CC1
InChIInChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3/t12-/m1/s1
InChIKeyGPNUELOYUSLBDR-GFCCVEGCSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (CID 89474047) is (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is CN1CCC(C2=CC[C@H](N)C=C2)CC1.
What is the InChIKey of (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is GPNUELOYUSLBDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3/t12-/m1/s1.
What are the key properties of (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).