1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane

C15H30N2O — CID 157039213

IUPAC1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
SMILESC1CCCCC1.OC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H18N2O.C6H12/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;1-2-4-6-5-3-1/h8-10,12H,1-7H2;1-6H2
InChIKeyRKZWWBCPPWQTCY-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane

1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane (PubChem CID 157039213) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
PubChem CID157039213
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
SMILESC1CCCCC1.OC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H18N2O.C6H12/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;1-2-4-6-5-3-1/h8-10,12H,1-7H2;1-6H2
InChIKeyRKZWWBCPPWQTCY-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
1-(cyclohexylmethyl)piperidin-4-ol;trifluoromethanol
CID 157039193
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
4-(azetidin-3-ylmethyl)morpholine
CID 66596271
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane?
The IUPAC name of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane (CID 157039213) is 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane?
The canonical SMILES for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane is C1CCCCC1.OC1CCN(CC2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane?
The InChIKey is RKZWWBCPPWQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C6H12/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;1-2-4-6-5-3-1/h8-10,12H,1-7H2;1-6H2.
What are the key properties of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane?
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane has a molecular weight of 254.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane is sourced from PubChem (CID 157039213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).