1-methyl-4-(piperidin-1-ylmethyl)piperidine

C12H24N2 — CID 20673700

IUPAC1-methyl-4-(piperidin-1-ylmethyl)piperidine
SMILESCN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C12H24N2/c1-13-9-5-12(6-10-13)11-14-7-3-2-4-8-14/h12H,2-11H2,1H3
InChIKeyRKLKAKQHGMNGKR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds2

About 1-methyl-4-(piperidin-1-ylmethyl)piperidine

1-methyl-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 20673700) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(piperidin-1-ylmethyl)piperidine
PubChem CID20673700
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-methyl-4-(piperidin-1-ylmethyl)piperidine
SMILESCN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C12H24N2/c1-13-9-5-12(6-10-13)11-14-7-3-2-4-8-14/h12H,2-11H2,1H3
InChIKeyRKLKAKQHGMNGKR-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride
CID 155480
4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1,1'-Methylenebis[3-methylpiperidine]
CID 111445
(4-Methylpiperidine-1-carbothioyl)sulfanyl 4-methylpiperidine-1-carbodithioate
CID 44550621
1-Methyl-1-azoniabicyclo[2.2.2]octane
CID 155481
3,7-Dipropyl-3,7-diazabicyclo(3.3.1)nonane
CID 16045513
1-Propyl-4-methylpiperidine
CID 4100429
3,7-Diazabicyclo[3.3.1]nonane, 3,7-dimethyl-
CID 139831
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-methyl-4-(piperidin-1-ylmethyl)piperidine (CID 20673700) is 1-methyl-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-4-(piperidin-1-ylmethyl)piperidine is CN1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is RKLKAKQHGMNGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-13-9-5-12(6-10-13)11-14-7-3-2-4-8-14/h12H,2-11H2,1H3.
What are the key properties of 1-methyl-4-(piperidin-1-ylmethyl)piperidine?
1-methyl-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 20673700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).