2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine

C17H33N3 — CID 123170611

IUPAC2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine
SMILESCC1CNCC(CC2CC(C3CCNCC3)CCN2)C1
InChIInChI=1S/C17H33N3/c1-13-8-14(12-19-11-13)9-17-10-16(4-7-20-17)15-2-5-18-6-3-15/h13-20H,2-12H2,1H3
InChIKeyUEDHPZOHSHMPGA-UHFFFAOYSA-N
MW279.47 g/mol
LogP1.99
Rot. Bonds3

About 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine

2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine (PubChem CID 123170611) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine
PubChem CID123170611
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine
SMILESCC1CNCC(CC2CC(C3CCNCC3)CCN2)C1
InChIInChI=1S/C17H33N3/c1-13-8-14(12-19-11-13)9-17-10-16(4-7-20-17)15-2-5-18-6-3-15/h13-20H,2-12H2,1H3
InChIKeyUEDHPZOHSHMPGA-UHFFFAOYSA-N
XLogP1.99
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Perhexiline
CID 4746
Perhexiline, (S)-
CID 6604329
(2S,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 57350103
Perhexiline, (R)-
CID 38988177
4,4'-Dimethyl-2,2'-bipiperidine (mixture of isomers)
CID 5232996
1-Methyl-1-pentadecyl-4-piperidin-4-ylpiperidin-1-ium chloride
CID 11568143
1-Nonyl-4-piperidin-4-ylpiperidine
CID 44592884
(2R,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 11401004
(2S,4R,9aS)-2-methyl-4-[[(2S)-piperidin-2-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 10106172
4-Fluoro-4-[5-methyl-2-[3-methyl-3-(4-methylpiperidin-4-yl)butyl]-5-piperidin-4-ylhexan-2-yl]piperidine
CID 132147443
(10R,14S)-4-fluoro-10-methyl-5,8,16-triazatricyclo[13.3.1.02,7]nonadecan-14-amine
CID 141456619
2-[2-(4-Fluoro-1-methylpiperidin-4-yl)propyl]-4-methyl-4-propan-2-ylpiperidine
CID 156338623

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine?
The IUPAC name of 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine (CID 123170611) is 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine?
The canonical SMILES for 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine is CC1CNCC(CC2CC(C3CCNCC3)CCN2)C1.
What is the InChIKey of 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine?
The InChIKey is UEDHPZOHSHMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13-8-14(12-19-11-13)9-17-10-16(4-7-20-17)15-2-5-18-6-3-15/h13-20H,2-12H2,1H3.
What are the key properties of 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine?
2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine has a molecular weight of 279.47 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpiperidin-3-yl)methyl]-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 123170611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).