4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine

C23H33N5O — CID 95722782

IUPAC4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine
SMILESCCCc1cncnc1N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1
InChIInChI=1S/C23H33N5O/c1-3-7-19-16-24-18-25-23(19)28-11-6-8-20(17-28)26-12-14-27(15-13-26)21-9-4-5-10-22(21)29-2/h4-5,9-10,16,18,20H,3,6-8,11-15,17H2,1-2H3/t20-/m0/s1
InChIKeyDGDFTRFALIZMJM-FQEVSTJZSA-N
MW395.55 g/mol
LogP3.23
Rot. Bonds6

About 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine

4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine (PubChem CID 95722782) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine
PubChem CID95722782
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine
SMILESCCCc1cncnc1N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1
InChIInChI=1S/C23H33N5O/c1-3-7-19-16-24-18-25-23(19)28-11-6-8-20(17-28)26-12-14-27(15-13-26)21-9-4-5-10-22(21)29-2/h4-5,9-10,16,18,20H,3,6-8,11-15,17H2,1-2H3/t20-/m0/s1
InChIKeyDGDFTRFALIZMJM-FQEVSTJZSA-N
XLogP3.23
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
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1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
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3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine?
The IUPAC name of 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine (CID 95722782) is 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine?
The canonical SMILES for 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine is CCCc1cncnc1N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1.
What is the InChIKey of 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine?
The InChIKey is DGDFTRFALIZMJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-7-19-16-24-18-25-23(19)28-11-6-8-20(17-28)26-12-14-27(15-13-26)21-9-4-5-10-22(21)29-2/h4-5,9-10,16,18,20H,3,6-8,11-15,17H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine?
4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine has a molecular weight of 395.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 95722782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).