1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine

C34H68N6 — CID 143456779

IUPAC1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCN1CCCC1CN1CCCCC1.CN1CCCCC1CN1CCCC1.CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H24N2.2C11H22N2/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;1-12-7-3-2-6-11(12)10-13-8-4-5-9-13;1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h12H,2-11H2,1H3;2*11H,2-10H2,1H3
InChIKeyIIYNIJCEJMXFAY-UHFFFAOYSA-N
MW560.96 g/mol
LogP5.09
Rot. Bonds6

About 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine

1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 143456779) has the molecular formula C34H68N6 and a molecular weight of 560.96 g/mol. Its IUPAC name is 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID143456779
Molecular FormulaC34H68N6
Molecular Weight560.96 g/mol
Exact Mass560.55
IUPAC Name1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCN1CCCC1CN1CCCCC1.CN1CCCCC1CN1CCCC1.CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H24N2.2C11H22N2/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;1-12-7-3-2-6-11(12)10-13-8-4-5-9-13;1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h12H,2-11H2,1H3;2*11H,2-10H2,1H3
InChIKeyIIYNIJCEJMXFAY-UHFFFAOYSA-N
XLogP5.09
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.96
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine (CID 143456779) is 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine is CN1CCCC1CN1CCCCC1.CN1CCCCC1CN1CCCC1.CN1CCCCC1CN1CCCCC1.
What is the InChIKey of 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is IIYNIJCEJMXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C11H22N2/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;1-12-7-3-2-6-11(12)10-13-8-4-5-9-13;1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h12H,2-11H2,1H3;2*11H,2-10H2,1H3.
What are the key properties of 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 560.96 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 143456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).