4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol

C16H26N2O2 — CID 171891043

IUPAC4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-8-15(19)16(20)13-6-5-7-14(12-13)18-10-3-2-4-11-18/h5-7,12,15-17,19-20H,2-4,8-11H2,1H3
InChIKeyBJFOFGDMRSGOAG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.68
Rot. Bonds6

About 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol

4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol (PubChem CID 171891043) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
PubChem CID171891043
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
SMILESCNCCC(O)C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-8-15(19)16(20)13-6-5-7-14(12-13)18-10-3-2-4-11-18/h5-7,12,15-17,19-20H,2-4,8-11H2,1H3
InChIKeyBJFOFGDMRSGOAG-UHFFFAOYSA-N
XLogP1.68
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
CID 171883824
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
CID 170828843
3,4-dihydroxy-4-(3-piperidin-1-ylphenyl)butanoic acid
CID 171878501
4-(methylamino)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butane-1,2-diol
CID 171891016
2,3-dihydroxy-3-(3-piperidin-1-ylphenyl)propanenitrile
CID 171871056
1-[3-(chloromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171889742
2,3-dihydroxy-3-(3-pyrrolidin-1-ylphenyl)propanoic acid
CID 170824731
[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol
CID 175874307
1-(3-azidophenyl)-4-(methylamino)butane-1,2-diol
CID 171890356
tert-butyl N-[2,3-dihydroxy-3-(3-morpholin-4-ylphenyl)propyl]carbamate
CID 170832952
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(methylamino)butane-1,2-diol
CID 171890368

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol?
The IUPAC name of 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol (CID 171891043) is 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol.
What is the SMILES notation for 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol?
The canonical SMILES for 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol is CNCCC(O)C(O)c1cccc(N2CCCCC2)c1.
What is the InChIKey of 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol?
The InChIKey is BJFOFGDMRSGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-9-8-15(19)16(20)13-6-5-7-14(12-13)18-10-3-2-4-11-18/h5-7,12,15-17,19-20H,2-4,8-11H2,1H3.
What are the key properties of 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol?
4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol has a molecular weight of 278.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol is sourced from PubChem (CID 171891043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).