1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane

C13H27NO — CID 144941400

IUPAC1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane
SMILESCC.CC1(C)CCN(CC2(O)CC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-10(2)5-7-12(8-6-10)9-11(13)3-4-11;1-2/h13H,3-9H2,1-2H3;1-2H3
InChIKeyQHKUEZDDBXQLFT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds2

About 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane

1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane (PubChem CID 144941400) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane.

Molecular Properties

Compound Name1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane
PubChem CID144941400
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane
SMILESCC.CC1(C)CCN(CC2(O)CC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-10(2)5-7-12(8-6-10)9-11(13)3-4-11;1-2/h13H,3-9H2,1-2H3;1-2H3
InChIKeyQHKUEZDDBXQLFT-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylazepane
CID 65283132
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63123190
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane?
The IUPAC name of 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane (CID 144941400) is 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane.
What is the SMILES notation for 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane?
The canonical SMILES for 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane is CC.CC1(C)CCN(CC2(O)CC2)CC1.
What is the InChIKey of 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane?
The InChIKey is QHKUEZDDBXQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-10(2)5-7-12(8-6-10)9-11(13)3-4-11;1-2/h13H,3-9H2,1-2H3;1-2H3.
What are the key properties of 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane?
1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane has a molecular weight of 213.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane is sourced from PubChem (CID 144941400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).