trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol

C19H26N4O — CID 56853258

IUPACtrans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
SMILESCc1ccc2ncnc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)c2c1
InChIInChI=1S/C19H26N4O/c1-14-6-7-16-15(12-14)19(21-13-20-16)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3/t17-,18-/m0/s1
InChIKeyMEPPNLKQDCUYFT-ROUUACIJSA-N
MW326.44 g/mol
LogP2.36
Rot. Bonds2

About trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol (PubChem CID 56853258) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
PubChem CID56853258
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Nametrans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
SMILESCc1ccc2ncnc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)c2c1
InChIInChI=1S/C19H26N4O/c1-14-6-7-16-15(12-14)19(21-13-20-16)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3/t17-,18-/m0/s1
InChIKeyMEPPNLKQDCUYFT-ROUUACIJSA-N
XLogP2.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol (CID 56853258) is trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol is Cc1ccc2ncnc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)c2c1.
What is the InChIKey of trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is MEPPNLKQDCUYFT-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-6-7-16-15(12-14)19(21-13-20-16)23-10-8-22(9-11-23)17-4-2-3-5-18(17)24/h6-7,12-13,17-18,24H,2-5,8-11H2,1H3/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 56853258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).