1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol

C16H26FNO — CID 143466122

IUPAC1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
SMILESC/C=C\C=C(\F)C(C)=CC1CCN(CC(C)O)CC1
InChIInChI=1S/C16H26FNO/c1-4-5-6-16(17)13(2)11-15-7-9-18(10-8-15)12-14(3)19/h4-6,11,14-15,19H,7-10,12H2,1-3H3/b5-4-,13-11?,16-6+
InChIKeyYICMTBGQYFVPDF-NFFSYWSFSA-N
MW267.39 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol

1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol (PubChem CID 143466122) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
PubChem CID143466122
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
SMILESC/C=C\C=C(\F)C(C)=CC1CCN(CC(C)O)CC1
InChIInChI=1S/C16H26FNO/c1-4-5-6-16(17)13(2)11-15-7-9-18(10-8-15)12-14(3)19/h4-6,11,14-15,19H,7-10,12H2,1-3H3/b5-4-,13-11?,16-6+
InChIKeyYICMTBGQYFVPDF-NFFSYWSFSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
CID 130675497
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
CID 164647914
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol (CID 143466122) is 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol is C/C=C\C=C(\F)C(C)=CC1CCN(CC(C)O)CC1.
What is the InChIKey of 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol?
The InChIKey is YICMTBGQYFVPDF-NFFSYWSFSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-5-6-16(17)13(2)11-15-7-9-18(10-8-15)12-14(3)19/h4-6,11,14-15,19H,7-10,12H2,1-3H3/b5-4-,13-11?,16-6+.
What are the key properties of 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol?
1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol has a molecular weight of 267.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 143466122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).