(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol

C17H27N5O — CID 56877567

IUPAC(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(c3ncnc4c3CCC4)C[C@H]2O)CC1
InChIInChI=1S/C17H27N5O/c1-20-7-9-21(10-8-20)15-5-6-22(11-16(15)23)17-13-3-2-4-14(13)18-12-19-17/h12,15-16,23H,2-11H2,1H3/t15-,16-/m1/s1
InChIKeyLPOWAQVMTRCSSR-HZPDHXFCSA-N
MW317.44 g/mol
LogP0.15
Rot. Bonds2

About (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol

(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol (PubChem CID 56877567) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol
PubChem CID56877567
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(c3ncnc4c3CCC4)C[C@H]2O)CC1
InChIInChI=1S/C17H27N5O/c1-20-7-9-21(10-8-20)15-5-6-22(11-16(15)23)17-13-3-2-4-14(13)18-12-19-17/h12,15-16,23H,2-11H2,1H3/t15-,16-/m1/s1
InChIKeyLPOWAQVMTRCSSR-HZPDHXFCSA-N
XLogP0.15
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol (CID 56877567) is (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol is CN1CCN([C@@H]2CCN(c3ncnc4c3CCC4)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
The InChIKey is LPOWAQVMTRCSSR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N5O/c1-20-7-9-21(10-8-20)15-5-6-22(11-16(15)23)17-13-3-2-4-14(13)18-12-19-17/h12,15-16,23H,2-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol?
(3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol has a molecular weight of 317.44 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(4-methylpiperazin-1-yl)piperidin-3-ol is sourced from PubChem (CID 56877567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).