(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C17H34N2O2 — CID 99846844

IUPAC(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC[C@H](O)[C@H]1CCCCN1C[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C17H34N2O2/c1-3-17(21)16-6-4-5-9-19(16)13-15(20)12-18-10-7-14(2)8-11-18/h14-17,20-21H,3-13H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyVOJUROBBYILNPW-BBWFWOEESA-N
MW298.47 g/mol
LogP1.70
Rot. Bonds6

About (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 99846844) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID99846844
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC[C@H](O)[C@H]1CCCCN1C[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C17H34N2O2/c1-3-17(21)16-6-4-5-9-19(16)13-15(20)12-18-10-7-14(2)8-11-18/h14-17,20-21H,3-13H2,1-2H3/t15-,16+,17-/m0/s1
InChIKeyVOJUROBBYILNPW-BBWFWOEESA-N
XLogP1.70
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

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Related Compounds

1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
CID 111461994
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111462643
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 99846844) is (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC[C@H](O)[C@H]1CCCCN1C[C@@H](O)CN1CCC(C)CC1.
What is the InChIKey of (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is VOJUROBBYILNPW-BBWFWOEESA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-17(21)16-6-4-5-9-19(16)13-15(20)12-18-10-7-14(2)8-11-18/h14-17,20-21H,3-13H2,1-2H3/t15-,16+,17-/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 298.47 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 99846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).