1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol

C8H17NO3 — CID 154222785

IUPAC1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1(CO)CCNCC1
InChIInChI=1S/C8H17NO3/c10-5-7(12)8(6-11)1-3-9-4-2-8/h7,9-12H,1-6H2
InChIKeyMBBCNGTTWXZQOJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-1.30
Rot. Bonds3

About 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol

1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol (PubChem CID 154222785) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol
PubChem CID154222785
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1(CO)CCNCC1
InChIInChI=1S/C8H17NO3/c10-5-7(12)8(6-11)1-3-9-4-2-8/h7,9-12H,1-6H2
InChIKeyMBBCNGTTWXZQOJ-UHFFFAOYSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-[(1S)-1,2-dihydroxyethyl]piperidine-3,4-diol
CID 24858444
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
CID 102551269
(4-methylpiperidin-4-yl)methanol
CID 22507737
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 146082411
1-[1-(hydroxymethyl)cyclobutyl]-3-methylbutan-1-ol
CID 102551279
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
CID 146082410
(4-ethenylpiperidin-4-yl)methanol
CID 146049241
4-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 58970518
1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
CID 146101816
acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
CID 68668361
1-[1,4-bis(hydroxymethyl)cyclohexyl]hexane-1,6-diol
CID 123228794
[4-(aminooxymethyl)piperidin-4-yl]methanol
CID 105431439

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol (CID 154222785) is 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol is OCC(O)C1(CO)CCNCC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol?
The InChIKey is MBBCNGTTWXZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c10-5-7(12)8(6-11)1-3-9-4-2-8/h7,9-12H,1-6H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol?
1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol has a molecular weight of 175.23 g/mol, XLogP of -1.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 154222785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).