3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride

C12H25ClN2O — CID 120848616

IUPAC3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
SMILESCC1CN(CC2CCCNC2)CCC1O.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-8-14(6-4-12(10)15)9-11-3-2-5-13-7-11;/h10-13,15H,2-9H2,1H3;1H
InChIKeyJCLIKIYHOOLKPQ-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.11
Rot. Bonds2

About 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride

3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride (PubChem CID 120848616) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
PubChem CID120848616
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
SMILESCC1CN(CC2CCCNC2)CCC1O.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-8-14(6-4-12(10)15)9-11-3-2-5-13-7-11;/h10-13,15H,2-9H2,1H3;1H
InChIKeyJCLIKIYHOOLKPQ-UHFFFAOYSA-N
XLogP1.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride (CID 120848616) is 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride is CC1CN(CC2CCCNC2)CCC1O.Cl.
What is the InChIKey of 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride?
The InChIKey is JCLIKIYHOOLKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10-8-14(6-4-12(10)15)9-11-3-2-5-13-7-11;/h10-13,15H,2-9H2,1H3;1H.
What are the key properties of 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride?
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 120848616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).