3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol

C19H32N4O — CID 86284909

IUPAC3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol
SMILESCc1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C19H32N4O/c1-16-5-3-8-20-19(16)23-9-7-18(17(15-23)6-4-14-24)22-12-10-21(2)11-13-22/h3,5,8,17-18,24H,4,6-7,9-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyMJGHSABGLNAWKM-MSOLQXFVSA-N
MW332.49 g/mol
LogP1.60
Rot. Bonds5

About 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol

3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol (PubChem CID 86284909) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol
PubChem CID86284909
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol
SMILESCc1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1
InChIInChI=1S/C19H32N4O/c1-16-5-3-8-20-19(16)23-9-7-18(17(15-23)6-4-14-24)22-12-10-21(2)11-13-22/h3,5,8,17-18,24H,4,6-7,9-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyMJGHSABGLNAWKM-MSOLQXFVSA-N
XLogP1.60
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol (CID 86284909) is 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol is Cc1cccnc1N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1.
What is the InChIKey of 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol?
The InChIKey is MJGHSABGLNAWKM-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16-5-3-8-20-19(16)23-9-7-18(17(15-23)6-4-14-24)22-12-10-21(2)11-13-22/h3,5,8,17-18,24H,4,6-7,9-15H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol?
3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-(3-methyl-2-pyridinyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 86284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).