3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol

C12H24N2O2 — CID 82850216

IUPAC3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H24N2O2/c15-9-12(16)8-14(11-1-2-11)7-10-3-5-13-6-4-10/h10-13,15-16H,1-9H2
InChIKeyCRNKNOLNMSTPLX-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.20
Rot. Bonds6

About 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol

3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol (PubChem CID 82850216) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
PubChem CID82850216
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H24N2O2/c15-9-12(16)8-14(11-1-2-11)7-10-3-5-13-6-4-10/h10-13,15-16H,1-9H2
InChIKeyCRNKNOLNMSTPLX-UHFFFAOYSA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydroxypropyl(piperidin-4-yl)amino]acetamide
CID 82849875
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110
5-[cyclopropyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79714169
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
6-[2,3,4,5,6-pentahydroxyhexyl(piperidin-4-yl)amino]hexane-1,2,3,4,5-pentol;dihydrochloride
CID 138560502
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol (CID 82850216) is 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol is OCC(O)CN(CC1CCNCC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol?
The InChIKey is CRNKNOLNMSTPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-9-12(16)8-14(11-1-2-11)7-10-3-5-13-6-4-10/h10-13,15-16H,1-9H2.
What are the key properties of 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol?
3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol has a molecular weight of 228.34 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol is sourced from PubChem (CID 82850216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).