(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine

C11H18N2 — CID 89473883

IUPAC(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine
SMILESN[C@@H]1C=CC(C2CCNCC2)=CC1
InChIInChI=1S/C11H18N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-3,10-11,13H,4-8,12H2/t11-/m1/s1
InChIKeyVDJWQWUZMOOCIX-LLVKDONJSA-N
MW178.28 g/mol
LogP1.20
Rot. Bonds1

About (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine

(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine (PubChem CID 89473883) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine
PubChem CID89473883
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine
SMILESN[C@@H]1C=CC(C2CCNCC2)=CC1
InChIInChI=1S/C11H18N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-3,10-11,13H,4-8,12H2/t11-/m1/s1
InChIKeyVDJWQWUZMOOCIX-LLVKDONJSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine (CID 89473883) is (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine is N[C@@H]1C=CC(C2CCNCC2)=CC1.
What is the InChIKey of (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is VDJWQWUZMOOCIX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-3,10-11,13H,4-8,12H2/t11-/m1/s1.
What are the key properties of (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine?
(1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-piperidin-4-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89473883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).