ethane;(1-methylpiperidin-3-yl)methanol

C9H21NO — CID 142013659

IUPACethane;(1-methylpiperidin-3-yl)methanol
SMILESCC.CN1CCCC(CO)C1
InChIInChI=1S/C7H15NO.C2H6/c1-8-4-2-3-7(5-8)6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyXISCNPUYMRAPDB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds1

About ethane;(1-methylpiperidin-3-yl)methanol

ethane;(1-methylpiperidin-3-yl)methanol (PubChem CID 142013659) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;(1-methylpiperidin-3-yl)methanol
PubChem CID142013659
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(1-methylpiperidin-3-yl)methanol
SMILESCC.CN1CCCC(CO)C1
InChIInChI=1S/C7H15NO.C2H6/c1-8-4-2-3-7(5-8)6-9;1-2/h7,9H,2-6H2,1H3;1-2H3
InChIKeyXISCNPUYMRAPDB-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Isopropylpiperidin-3-Yl)Methanol
CID 23559485
(1-Methyl-3-piperidyl)methanol
CID 97998
2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
(1,3-Dimethylpiperidin-3-yl)methanol
CID 44827703
1-Piperidinepentanol
CID 566537
[1-[3-[3-(Hydroxymethyl)-1-piperidyl]propyl]-3-piperidyl]methanol
CID 455461
(1-(Prop-2-yn-1-yl)piperidin-3-yl)methanol
CID 18616526
3-(Hydroxymethyl)-1-piperidineacetonitrile
CID 11491967
(1-Ethyl-4-piperidinyl)methanol
CID 15512642
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077
[1-(2-Methoxyethyl)piperidin-3-yl]methanol
CID 45791056

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpiperidin-3-yl)methanol?
The IUPAC name of ethane;(1-methylpiperidin-3-yl)methanol (CID 142013659) is ethane;(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for ethane;(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for ethane;(1-methylpiperidin-3-yl)methanol is CC.CN1CCCC(CO)C1.
What is the InChIKey of ethane;(1-methylpiperidin-3-yl)methanol?
The InChIKey is XISCNPUYMRAPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-8-4-2-3-7(5-8)6-9;1-2/h7,9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;(1-methylpiperidin-3-yl)methanol?
ethane;(1-methylpiperidin-3-yl)methanol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 142013659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).