(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol

C19H39N3O2 — CID 95327073

IUPAC(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H39N3O2/c1-16-5-7-20(8-6-16)13-17(23)14-21-9-11-22(12-10-21)15-18(24)19(2,3)4/h16-18,23-24H,5-15H2,1-4H3/t17-,18+/m0/s1
InChIKeyUWQLVHOFPRUKKO-ZWKOTPCHSA-N
MW341.54 g/mol
LogP1.10
Rot. Bonds6

About (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol

(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 95327073) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID95327073
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H39N3O2/c1-16-5-7-20(8-6-16)13-17(23)14-21-9-11-22(12-10-21)15-18(24)19(2,3)4/h16-18,23-24H,5-15H2,1-4H3/t17-,18+/m0/s1
InChIKeyUWQLVHOFPRUKKO-ZWKOTPCHSA-N
XLogP1.10
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
CID 111799262
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
CID 130679235
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95309026
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol (CID 95327073) is (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol is CC1CCN(C[C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1.
What is the InChIKey of (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is UWQLVHOFPRUKKO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-16-5-7-20(8-6-16)13-17(23)14-21-9-11-22(12-10-21)15-18(24)19(2,3)4/h16-18,23-24H,5-15H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 341.54 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 95327073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).