2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol

C16H31NO2 — CID 62610564

IUPAC2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCC(CO)CC2)C1
InChIInChI=1S/C16H31NO2/c1-2-3-13-4-5-16(19)15(10-13)11-17-8-6-14(12-18)7-9-17/h13-16,18-19H,2-12H2,1H3
InChIKeyNAVHKBHVANSHAP-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.27
Rot. Bonds5

About 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol

2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62610564) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
PubChem CID62610564
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCC(CO)CC2)C1
InChIInChI=1S/C16H31NO2/c1-2-3-13-4-5-16(19)15(10-13)11-17-8-6-14(12-18)7-9-17/h13-16,18-19H,2-12H2,1H3
InChIKeyNAVHKBHVANSHAP-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 63002763
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
2-[(2-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 62611119
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814
1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674036
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
CID 114681929

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol (CID 62610564) is 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN2CCC(CO)CC2)C1.
What is the InChIKey of 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is NAVHKBHVANSHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-13-4-5-16(19)15(10-13)11-17-8-6-14(12-18)7-9-17/h13-16,18-19H,2-12H2,1H3.
What are the key properties of 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol?
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62610564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).