(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine

C23H46N2O2 — CID 146332106

IUPAC(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
SMILESCOCCCCCN1CC[C@H](C)C(C2CN(CCCCOC)CC[C@H]2C)C1
InChIInChI=1S/C23H46N2O2/c1-20-10-14-24(12-6-5-8-16-26-3)18-22(20)23-19-25(15-11-21(23)2)13-7-9-17-27-4/h20-23H,5-19H2,1-4H3/t20-,21+,22?,23?/m0/s1
InChIKeyPNLZPBRFDQJTGG-SCUZDCGXSA-N
MW382.63 g/mol
LogP4.15
Rot. Bonds12

About (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine

(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine (PubChem CID 146332106) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine.

Molecular Properties

Compound Name(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
PubChem CID146332106
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
SMILESCOCCCCCN1CC[C@H](C)C(C2CN(CCCCOC)CC[C@H]2C)C1
InChIInChI=1S/C23H46N2O2/c1-20-10-14-24(12-6-5-8-16-26-3)18-22(20)23-19-25(15-11-21(23)2)13-7-9-17-27-4/h20-23H,5-19H2,1-4H3/t20-,21+,22?,23?/m0/s1
InChIKeyPNLZPBRFDQJTGG-SCUZDCGXSA-N
XLogP4.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
CID 114682188
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114876496
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
1-(4-methoxybutyl)azetidin-3-ol
CID 115773115
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine?
The IUPAC name of (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine (CID 146332106) is (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine.
What is the SMILES notation for (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine?
The canonical SMILES for (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine is COCCCCCN1CC[C@H](C)C(C2CN(CCCCOC)CC[C@H]2C)C1.
What is the InChIKey of (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine?
The InChIKey is PNLZPBRFDQJTGG-SCUZDCGXSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-20-10-14-24(12-6-5-8-16-26-3)18-22(20)23-19-25(15-11-21(23)2)13-7-9-17-27-4/h20-23H,5-19H2,1-4H3/t20-,21+,22?,23?/m0/s1.
What are the key properties of (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine?
(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine has a molecular weight of 382.63 g/mol, XLogP of 4.15, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine is sourced from PubChem (CID 146332106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).