[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol

C14H30N2O2 — CID 114229027

IUPAC[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol
SMILESCNC(CCN1CCCC(CO)C1)C(C)(C)OC
InChIInChI=1S/C14H30N2O2/c1-14(2,18-4)13(15-3)7-9-16-8-5-6-12(10-16)11-17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWWPVAKQCKJVRNK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.09
Rot. Bonds7

About [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol

[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol (PubChem CID 114229027) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol
PubChem CID114229027
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol
SMILESCNC(CCN1CCCC(CO)C1)C(C)(C)OC
InChIInChI=1S/C14H30N2O2/c1-14(2,18-4)13(15-3)7-9-16-8-5-6-12(10-16)11-17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWWPVAKQCKJVRNK-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N,4,4-trimethylpentan-3-amine
CID 64583577
1-(2-ethylpiperidin-1-yl)-4-methoxy-N,4-dimethylpentan-3-amine
CID 114229053
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[(3R)-1-(2-chloroethyl)piperidin-3-yl]methanol
CID 124679316
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol (CID 114229027) is [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol is CNC(CCN1CCCC(CO)C1)C(C)(C)OC.
What is the InChIKey of [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol?
The InChIKey is WWPVAKQCKJVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2,18-4)13(15-3)7-9-16-8-5-6-12(10-16)11-17/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol?
[1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol has a molecular weight of 258.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-4-methyl-3-(methylamino)pentyl]piperidin-3-yl]methanol is sourced from PubChem (CID 114229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).