1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol

C14H26N2O — CID 144862322

IUPAC1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
SMILESC=C(/C(=C\C)CNC(C)C)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O/c1-5-13(10-15-11(2)3)12(4)16-8-6-14(17)7-9-16/h5,11,14-15,17H,4,6-10H2,1-3H3/b13-5-
InChIKeyPERDISCMNNFRTN-ACAGNQJTSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds5

About 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol

1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol (PubChem CID 144862322) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
PubChem CID144862322
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
SMILESC=C(/C(=C\C)CNC(C)C)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O/c1-5-13(10-15-11(2)3)12(4)16-8-6-14(17)7-9-16/h5,11,14-15,17H,4,6-10H2,1-3H3/b13-5-
InChIKeyPERDISCMNNFRTN-ACAGNQJTSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
1-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 89073983
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
3-[(4-Methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine
CID 134406258
1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
CID 142300542
1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
CID 143800909
Ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
CID 143800922
1-[[(1Z,3Z,7E)-8-aminocycloocta-1,3,7-trien-1-yl]methyl]piperidin-4-ol
CID 144251623
(E)-3-chloro-2-[1-(4-methoxypiperidin-1-yl)ethenyl]-N-propan-2-ylbut-2-en-1-amine
CID 144862358
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
4-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]cyclobutan-1-ol
CID 65976406

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol?
The IUPAC name of 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol (CID 144862322) is 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol is C=C(/C(=C\C)CNC(C)C)N1CCC(O)CC1.
What is the InChIKey of 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol?
The InChIKey is PERDISCMNNFRTN-ACAGNQJTSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-13(10-15-11(2)3)12(4)16-8-6-14(17)7-9-16/h5,11,14-15,17H,4,6-10H2,1-3H3/b13-5-.
What are the key properties of 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol?
1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol has a molecular weight of 238.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol is sourced from PubChem (CID 144862322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).