2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C21H35N5O — CID 95894022

IUPAC2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1
InChIInChI=1S/C21H35N5O/c1-16(2)24-8-5-18(6-9-24)26-11-10-25(14-19(26)7-12-27)21-13-20(17-3-4-17)22-15-23-21/h13,15-19,27H,3-12,14H2,1-2H3/t19-/m0/s1
InChIKeyHDDPFPCYTNKMCN-IBGZPJMESA-N
MW373.55 g/mol
LogP2.10
Rot. Bonds6

About 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 95894022) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID95894022
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1
InChIInChI=1S/C21H35N5O/c1-16(2)24-8-5-18(6-9-24)26-11-10-25(14-19(26)7-12-27)21-13-20(17-3-4-17)22-15-23-21/h13,15-19,27H,3-12,14H2,1-2H3/t19-/m0/s1
InChIKeyHDDPFPCYTNKMCN-IBGZPJMESA-N
XLogP2.10
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 95894022) is 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1.
What is the InChIKey of 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is HDDPFPCYTNKMCN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35N5O/c1-16(2)24-8-5-18(6-9-24)26-11-10-25(14-19(26)7-12-27)21-13-20(17-3-4-17)22-15-23-21/h13,15-19,27H,3-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 373.55 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(6-cyclopropylpyrimidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95894022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).