1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine

C18H35N3 — CID 126598499

IUPAC1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine
SMILESCN1CCC(CC2CCC(CC3CCNCC3)NC2)CC1
InChIInChI=1S/C18H35N3/c1-21-10-6-16(7-11-21)12-17-2-3-18(20-14-17)13-15-4-8-19-9-5-15/h15-20H,2-14H2,1H3
InChIKeyORRXQHNVPNTJQM-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.48
Rot. Bonds4

About 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine

1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine (PubChem CID 126598499) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine
PubChem CID126598499
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine
SMILESCN1CCC(CC2CCC(CC3CCNCC3)NC2)CC1
InChIInChI=1S/C18H35N3/c1-21-10-6-16(7-11-21)12-17-2-3-18(20-14-17)13-15-4-8-19-9-5-15/h15-20H,2-14H2,1H3
InChIKeyORRXQHNVPNTJQM-UHFFFAOYSA-N
XLogP2.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine (CID 126598499) is 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine is CN1CCC(CC2CCC(CC3CCNCC3)NC2)CC1.
What is the InChIKey of 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine?
The InChIKey is ORRXQHNVPNTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-21-10-6-16(7-11-21)12-17-2-3-18(20-14-17)13-15-4-8-19-9-5-15/h15-20H,2-14H2,1H3.
What are the key properties of 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine?
1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(piperidin-4-ylmethyl)piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 126598499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).