1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine

C14H24N2S — CID 143457440

IUPAC1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine
SMILESCCCC1=CC=C(SN2CCC(N)CC2)CC1
InChIInChI=1S/C14H24N2S/c1-2-3-12-4-6-14(7-5-12)17-16-10-8-13(15)9-11-16/h4,6,13H,2-3,5,7-11,15H2,1H3
InChIKeyOXLHBPLQFGRPTD-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine

1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine (PubChem CID 143457440) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine
PubChem CID143457440
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine
SMILESCCCC1=CC=C(SN2CCC(N)CC2)CC1
InChIInChI=1S/C14H24N2S/c1-2-3-12-4-6-14(7-5-12)17-16-10-8-13(15)9-11-16/h4,6,13H,2-3,5,7-11,15H2,1H3
InChIKeyOXLHBPLQFGRPTD-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
(4R)-1-(4-methylphenyl)sulfanylazepan-4-amine
CID 146292873
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117157006
1-(2-fluoroethynyl)-4-propylcyclohexa-1,3-diene
CID 143106967
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 163670178
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine?
The IUPAC name of 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine (CID 143457440) is 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine.
What is the SMILES notation for 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine?
The canonical SMILES for 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine is CCCC1=CC=C(SN2CCC(N)CC2)CC1.
What is the InChIKey of 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine?
The InChIKey is OXLHBPLQFGRPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-3-12-4-6-14(7-5-12)17-16-10-8-13(15)9-11-16/h4,6,13H,2-3,5,7-11,15H2,1H3.
What are the key properties of 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine?
1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine has a molecular weight of 252.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexa-1,3-dien-1-yl)sulfanylpiperidin-4-amine is sourced from PubChem (CID 143457440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).