1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

C17H35N3O2 — CID 111422240

IUPAC1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCN(CC2CCCCN2C)CC1
InChIInChI=1S/C17H35N3O2/c1-15(2)22-14-17(21)13-20-10-8-19(9-11-20)12-16-6-4-5-7-18(16)3/h15-17,21H,4-14H2,1-3H3
InChIKeyVFVYZDRQWWEWOO-UHFFFAOYSA-N
MW313.49 g/mol
LogP0.87
Rot. Bonds7

About 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 111422240) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID111422240
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCN(CC2CCCCN2C)CC1
InChIInChI=1S/C17H35N3O2/c1-15(2)22-14-17(21)13-20-10-8-19(9-11-20)12-16-6-4-5-7-18(16)3/h15-17,21H,4-14H2,1-3H3
InChIKeyVFVYZDRQWWEWOO-UHFFFAOYSA-N
XLogP0.87
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950
(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 99104205
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78820436
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 111422240) is 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCN(CC2CCCCN2C)CC1.
What is the InChIKey of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VFVYZDRQWWEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-15(2)22-14-17(21)13-20-10-8-19(9-11-20)12-16-6-4-5-7-18(16)3/h15-17,21H,4-14H2,1-3H3.
What are the key properties of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 313.49 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111422240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).