4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol

C13H22N2O — CID 145044472

IUPAC4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
SMILESNCC1(O)CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H22N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,16H,1,3,6-11,14H2
InChIKeyHVQAWNGZDFVTOK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.05
Rot. Bonds3

About 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol

4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol (PubChem CID 145044472) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
PubChem CID145044472
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
SMILESNCC1(O)CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H22N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,16H,1,3,6-11,14H2
InChIKeyHVQAWNGZDFVTOK-UHFFFAOYSA-N
XLogP1.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
1-(2-Cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol;ethane
CID 142188866
4-[5-(1-Aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
CID 143709591
4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 155632193
4-(Aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
CID 82292267
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
1-(2-Cyclohexa-1,5-dien-1-ylethyl)-4-methylpiperidin-4-ol
CID 142188867
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044372

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol (CID 145044472) is 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol is NCC1(O)CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol?
The InChIKey is HVQAWNGZDFVTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,16H,1,3,6-11,14H2.
What are the key properties of 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol?
4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 145044472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).