[3-[(dimethylamino)methyl]piperidin-3-yl]methanol

C9H20N2O — CID 56698894

IUPAC[3-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCNC1
InChIInChI=1S/C9H20N2O/c1-11(2)7-9(8-12)4-3-5-10-6-9/h10,12H,3-8H2,1-2H3
InChIKeyWAZPGEFNWMLEJN-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds3

About [3-[(dimethylamino)methyl]piperidin-3-yl]methanol

[3-[(dimethylamino)methyl]piperidin-3-yl]methanol (PubChem CID 56698894) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]piperidin-3-yl]methanol
PubChem CID56698894
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[3-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCNC1
InChIInChI=1S/C9H20N2O/c1-11(2)7-9(8-12)4-3-5-10-6-9/h10,12H,3-8H2,1-2H3
InChIKeyWAZPGEFNWMLEJN-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(dimethylamino)methyl]piperidin-3-yl]methanol (CID 56698894) is [3-[(dimethylamino)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(dimethylamino)methyl]piperidin-3-yl]methanol is CN(C)CC1(CO)CCCNC1.
What is the InChIKey of [3-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The InChIKey is WAZPGEFNWMLEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)7-9(8-12)4-3-5-10-6-9/h10,12H,3-8H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]piperidin-3-yl]methanol?
[3-[(dimethylamino)methyl]piperidin-3-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56698894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).