[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol

C14H27NO2 — CID 103539249

IUPAC[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
SMILESCOC1CCN(CC2(CO)CCCC(C)C2)C1
InChIInChI=1S/C14H27NO2/c1-12-4-3-6-14(8-12,11-16)10-15-7-5-13(9-15)17-2/h12-13,16H,3-11H2,1-2H3
InChIKeyNVWGCIMKDJIPOF-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds4

About [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol

[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol (PubChem CID 103539249) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
PubChem CID103539249
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
SMILESCOC1CCN(CC2(CO)CCCC(C)C2)C1
InChIInChI=1S/C14H27NO2/c1-12-4-3-6-14(8-12,11-16)10-15-7-5-13(9-15)17-2/h12-13,16H,3-11H2,1-2H3
InChIKeyNVWGCIMKDJIPOF-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
CID 103538925
N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
CID 102967366
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 103534745
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol (CID 103539249) is [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol is COC1CCN(CC2(CO)CCCC(C)C2)C1.
What is the InChIKey of [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol?
The InChIKey is NVWGCIMKDJIPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-4-3-6-14(8-12,11-16)10-15-7-5-13(9-15)17-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol?
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 103539249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).