11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide

C17H36INO — CID 45489329

IUPAC11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide
SMILESC[N+]1(CCCCCCCCCCCO)CCCCC1.[I-]
InChIInChI=1S/C17H36NO.HI/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19;/h19H,2-17H2,1H3;1H/q+1;/p-1
InChIKeyIKMIMVDMQHQLCU-UHFFFAOYSA-M
MW397.39 g/mol
LogP1.12
Rot. Bonds11

About 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide

11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide (PubChem CID 45489329) has the molecular formula C17H36INO and a molecular weight of 397.39 g/mol. Its IUPAC name is 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide.

Molecular Properties

Compound Name11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide
PubChem CID45489329
Molecular FormulaC17H36INO
Molecular Weight397.39 g/mol
Exact Mass397.18
IUPAC Name11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide
SMILESC[N+]1(CCCCCCCCCCCO)CCCCC1.[I-]
InChIInChI=1S/C17H36NO.HI/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19;/h19H,2-17H2,1H3;1H/q+1;/p-1
InChIKeyIKMIMVDMQHQLCU-UHFFFAOYSA-M
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Piperidineethanol, 1-methyl-
CID 98085
(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol
CID 15838350
3-(1-Methylpiperidin-2-yl)propan-1-ol
CID 18712959
(2R)-1-[(2S)-1-methylpiperidin-2-yl]nonadecan-2-ol
CID 162651773
(2R)-1-[(2R,6S)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol
CID 15838351
7-Piperidin-1-ylheptan-1-ol
CID 12078503
10-(Dibutylamino)decan-1-ol
CID 220009
2-[(2S)-1-methylpiperidin-2-yl]ethanol
CID 6994502
1-Undecanaminium, 11-hydroxy-N,N,N-trimethyl-, bromide
CID 10638682
12-(Diethylamino)dodecan-1-ol
CID 22218520
n,n-Dibutylundecanolamine
CID 87317390
11-(Dihexylamino)undecan-1-ol
CID 219366

Frequently Asked Questions

What is the IUPAC name of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide?
The IUPAC name of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide (CID 45489329) is 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide.
What is the SMILES notation for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide?
The canonical SMILES for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide is C[N+]1(CCCCCCCCCCCO)CCCCC1.[I-].
What is the InChIKey of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide?
The InChIKey is IKMIMVDMQHQLCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H36NO.HI/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19;/h19H,2-17H2,1H3;1H/q+1;/p-1.
What are the key properties of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide?
11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide has a molecular weight of 397.39 g/mol, XLogP of 1.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol iodide is sourced from PubChem (CID 45489329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).