trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol

C15H27NO3 — CID 97091562

IUPACtrans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol
SMILESCC1(C2CCN([C@@H]3CCCC[C@H]3O)CC2)OCCO1
InChIInChI=1S/C15H27NO3/c1-15(18-10-11-19-15)12-6-8-16(9-7-12)13-4-2-3-5-14(13)17/h12-14,17H,2-11H2,1H3/t13-,14-/m1/s1
InChIKeyYMUXLZNBGWONJL-ZIAGYGMSSA-N
MW269.38 g/mol
LogP1.76
Rot. Bonds2

About trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 97091562) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID97091562
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametrans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol
SMILESCC1(C2CCN([C@@H]3CCCC[C@H]3O)CC2)OCCO1
InChIInChI=1S/C15H27NO3/c1-15(18-10-11-19-15)12-6-8-16(9-7-12)13-4-2-3-5-14(13)17/h12-14,17H,2-11H2,1H3/t13-,14-/m1/s1
InChIKeyYMUXLZNBGWONJL-ZIAGYGMSSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
(1S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
CID 45358553
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
cis-(1R,2S)-2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
CID 93346127
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol (CID 97091562) is trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol is CC1(C2CCN([C@@H]3CCCC[C@H]3O)CC2)OCCO1.
What is the InChIKey of trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is YMUXLZNBGWONJL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(18-10-11-19-15)12-6-8-16(9-7-12)13-4-2-3-5-14(13)17/h12-14,17H,2-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 97091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).