(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine

C25H48N4 — CID 146332077

IUPAC(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESC[C@@H]1CCN(CC2CCN(C)CC2)C(C2C[C@@H](C)CCN2C2CCN(C)CC2)C1
InChIInChI=1S/C25H48N4/c1-20-5-15-28(19-22-7-11-26(3)12-8-22)24(17-20)25-18-21(2)6-16-29(25)23-9-13-27(4)14-10-23/h20-25H,5-19H2,1-4H3/t20-,21+,24?,25?/m1/s1
InChIKeyOFORCABIVFIHOA-LCOIQBMYSA-N
MW404.69 g/mol
LogP3.62
Rot. Bonds4

About (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine

(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine (PubChem CID 146332077) has the molecular formula C25H48N4 and a molecular weight of 404.69 g/mol. Its IUPAC name is (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine
PubChem CID146332077
Molecular FormulaC25H48N4
Molecular Weight404.69 g/mol
Exact Mass404.39
IUPAC Name(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESC[C@@H]1CCN(CC2CCN(C)CC2)C(C2C[C@@H](C)CCN2C2CCN(C)CC2)C1
InChIInChI=1S/C25H48N4/c1-20-5-15-28(19-22-7-11-26(3)12-8-22)24(17-20)25-18-21(2)6-16-29(25)23-9-13-27(4)14-10-23/h20-25H,5-19H2,1-4H3/t20-,21+,24?,25?/m1/s1
InChIKeyOFORCABIVFIHOA-LCOIQBMYSA-N
XLogP3.62
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine (CID 146332077) is (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine is C[C@@H]1CCN(CC2CCN(C)CC2)C(C2C[C@@H](C)CCN2C2CCN(C)CC2)C1.
What is the InChIKey of (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is OFORCABIVFIHOA-LCOIQBMYSA-N. The full InChI is InChI=1S/C25H48N4/c1-20-5-15-28(19-22-7-11-26(3)12-8-22)24(17-20)25-18-21(2)6-16-29(25)23-9-13-27(4)14-10-23/h20-25H,5-19H2,1-4H3/t20-,21+,24?,25?/m1/s1.
What are the key properties of (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine?
(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 404.69 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 146332077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).