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

C16H29NO3 — CID 97216802

IUPAC1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCC[C@@H](C3OCCO3)C2)CC1
InChIInChI=1S/C16H29NO3/c1-13-4-6-16(18,7-5-13)12-17-8-2-3-14(11-17)15-19-9-10-20-15/h13-15,18H,2-12H2,1H3/t13?,14-,16?/m1/s1
InChIKeySZLMGEMCCNVFAH-NPCAHTBFSA-N
MW283.41 g/mol
LogP2.01
Rot. Bonds3

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

1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol (PubChem CID 97216802) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
PubChem CID97216802
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCC[C@@H](C3OCCO3)C2)CC1
InChIInChI=1S/C16H29NO3/c1-13-4-6-16(18,7-5-13)12-17-8-2-3-14(11-17)15-19-9-10-20-15/h13-15,18H,2-12H2,1H3/t13?,14-,16?/m1/s1
InChIKeySZLMGEMCCNVFAH-NPCAHTBFSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol (CID 97216802) is 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CN2CCC[C@@H](C3OCCO3)C2)CC1.
What is the InChIKey of 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is SZLMGEMCCNVFAH-NPCAHTBFSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13-4-6-16(18,7-5-13)12-17-8-2-3-14(11-17)15-19-9-10-20-15/h13-15,18H,2-12H2,1H3/t13?,14-,16?/m1/s1.
What are the key properties of 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 97216802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).