(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C16H33N3O2 — CID 95309093

IUPAC(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C16H33N3O2/c1-15-3-5-18(6-4-15)13-16(20)14-19-9-7-17(8-10-19)11-12-21-2/h15-16,20H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyCMOJEGPJZQGRNT-INIZCTEOSA-N
MW299.46 g/mol
LogP0.34
Rot. Bonds7

About (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 95309093) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID95309093
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C16H33N3O2/c1-15-3-5-18(6-4-15)13-16(20)14-19-9-7-17(8-10-19)11-12-21-2/h15-16,20H,3-14H2,1-2H3/t16-/m0/s1
InChIKeyCMOJEGPJZQGRNT-INIZCTEOSA-N
XLogP0.34
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 95309093) is (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is COCCN1CCN(C[C@@H](O)CN2CCC(C)CC2)CC1.
What is the InChIKey of (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is CMOJEGPJZQGRNT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-15-3-5-18(6-4-15)13-16(20)14-19-9-7-17(8-10-19)11-12-21-2/h15-16,20H,3-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 95309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).