[3-(methylamino)-1-pentylpiperidin-3-yl]methanol

C12H26N2O — CID 117012596

IUPAC[3-(methylamino)-1-pentylpiperidin-3-yl]methanol
SMILESCCCCCN1CCCC(CO)(NC)C1
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-7-12(10-14,11-15)13-2/h13,15H,3-11H2,1-2H3
InChIKeyQKGZMUNVYSWOMS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About [3-(methylamino)-1-pentylpiperidin-3-yl]methanol

[3-(methylamino)-1-pentylpiperidin-3-yl]methanol (PubChem CID 117012596) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [3-(methylamino)-1-pentylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)-1-pentylpiperidin-3-yl]methanol
PubChem CID117012596
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[3-(methylamino)-1-pentylpiperidin-3-yl]methanol
SMILESCCCCCN1CCCC(CO)(NC)C1
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-7-12(10-14,11-15)13-2/h13,15H,3-11H2,1-2H3
InChIKeyQKGZMUNVYSWOMS-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012274
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117012285
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
[1-methyl-3-(methylamino)pyrrolidin-3-yl]methanol
CID 62975688
5-butyl-5-azaspiro[2.5]octane
CID 130224729
4,4-dimethyl-1-pentylazepane
CID 18723213
3-amino-1-pentylpiperidine-3-carbonitrile
CID 117012870
CID 162323144
CID 162323144
1-tetradecylpiperidine;hydrochloride
CID 71325293
acetic acid;1-dodecylpyrrolidine
CID 175583827
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-1-pentylpiperidin-3-yl]methanol?
The IUPAC name of [3-(methylamino)-1-pentylpiperidin-3-yl]methanol (CID 117012596) is [3-(methylamino)-1-pentylpiperidin-3-yl]methanol.
What is the SMILES notation for [3-(methylamino)-1-pentylpiperidin-3-yl]methanol?
The canonical SMILES for [3-(methylamino)-1-pentylpiperidin-3-yl]methanol is CCCCCN1CCCC(CO)(NC)C1.
What is the InChIKey of [3-(methylamino)-1-pentylpiperidin-3-yl]methanol?
The InChIKey is QKGZMUNVYSWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-7-12(10-14,11-15)13-2/h13,15H,3-11H2,1-2H3.
What are the key properties of [3-(methylamino)-1-pentylpiperidin-3-yl]methanol?
[3-(methylamino)-1-pentylpiperidin-3-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-1-pentylpiperidin-3-yl]methanol is sourced from PubChem (CID 117012596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).