1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol

C12H23NO — CID 104550058

IUPAC1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1CCN1CC1(O)CCCCCC1
InChIInChI=1S/C12H23NO/c1-11-6-9-13(11)10-12(14)7-4-2-3-5-8-12/h11,14H,2-10H2,1H3
InChIKeyCIYAVUPLCNIUHV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol

1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol (PubChem CID 104550058) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol
PubChem CID104550058
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1CCN1CC1(O)CCCCCC1
InChIInChI=1S/C12H23NO/c1-11-6-9-13(11)10-12(14)7-4-2-3-5-8-12/h11,14H,2-10H2,1H3
InChIKeyCIYAVUPLCNIUHV-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(dimethylamino)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63950406
1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
CID 79536181
1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
CID 79559850
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786
1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 112622604
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213774
1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95305573
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
1-[(4aR,9aR)-1-[(1-hydroxycycloheptyl)methyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 155994689
1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol (CID 104550058) is 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol is CC1CCN1CC1(O)CCCCCC1.
What is the InChIKey of 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol?
The InChIKey is CIYAVUPLCNIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-6-9-13(11)10-12(14)7-4-2-3-5-8-12/h11,14H,2-10H2,1H3.
What are the key properties of 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol?
1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 104550058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).