4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol

C14H26N2O — CID 50967811

IUPAC4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNC1CCN(C)CC1
InChIInChI=1S/C14H26N2O/c1-4-8-14(17,9-5-2)12-15-13-6-10-16(3)11-7-13/h4-5,13,15,17H,1-2,6-12H2,3H3
InChIKeyASUKBBPNSXKYAS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.55
Rot. Bonds7

About 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol

4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol (PubChem CID 50967811) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol
PubChem CID50967811
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNC1CCN(C)CC1
InChIInChI=1S/C14H26N2O/c1-4-8-14(17,9-5-2)12-15-13-6-10-16(3)11-7-13/h4-5,13,15,17H,1-2,6-12H2,3H3
InChIKeyASUKBBPNSXKYAS-UHFFFAOYSA-N
XLogP1.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol with MolForge

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Related Compounds

(2R,3S)-3-methyl-2-(piperidin-1-yl)hex-5-en-3-ol
CID 178185652
1-Methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene
CID 144950491
1-(2-Methylidenebut-3-enyl)-4-[2-(propan-2-ylamino)ethyl]piperidin-4-ol
CID 156093037
2-[(1-Methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol
CID 4712092
1-[(1-Methyl-4-prop-2-enylpiperidin-4-yl)amino]propan-2-ol
CID 4712094
2-[(1-Methyl-4-prop-2-enylpiperidin-4-yl)amino]ethanol
CID 4712280
3-Methyl-2-[(1-methyl-4-prop-2-enylpiperidin-4-yl)amino]butan-1-ol
CID 4712287
1-Methyl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200749
1-Propan-2-yl-4-prop-2-enylpiperidin-1-ium-4-ol
CID 7200983
4-Prop-2-enylpiperidin-1-ium-4-ol
CID 7320723
2-Methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 65107783
3-Methyl-1-(propan-2-ylamino)hex-5-en-3-ol
CID 79734697

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol (CID 50967811) is 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CNC1CCN(C)CC1.
What is the InChIKey of 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol?
The InChIKey is ASUKBBPNSXKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-8-14(17,9-5-2)12-15-13-6-10-16(3)11-7-13/h4-5,13,15,17H,1-2,6-12H2,3H3.
What are the key properties of 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol?
4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol has a molecular weight of 238.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpiperidin-4-yl)amino]methyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 50967811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).