[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol

C8H19N3O — CID 155709886

IUPAC[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol
SMILESCNN1CCC(CN)(CO)CC1
InChIInChI=1S/C8H19N3O/c1-10-11-4-2-8(6-9,7-12)3-5-11/h10,12H,2-7,9H2,1H3
InChIKeyBXCURPGKVTWOOL-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.85
Rot. Bonds3

About [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol

[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol (PubChem CID 155709886) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol
PubChem CID155709886
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol
SMILESCNN1CCC(CN)(CO)CC1
InChIInChI=1S/C8H19N3O/c1-10-11-4-2-8(6-9,7-12)3-5-11/h10,12H,2-7,9H2,1H3
InChIKeyBXCURPGKVTWOOL-UHFFFAOYSA-N
XLogP-0.85
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol?
The IUPAC name of [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol (CID 155709886) is [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol is CNN1CCC(CN)(CO)CC1.
What is the InChIKey of [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol?
The InChIKey is BXCURPGKVTWOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-10-11-4-2-8(6-9,7-12)3-5-11/h10,12H,2-7,9H2,1H3.
What are the key properties of [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol?
[4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-(methylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 155709886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).