1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine

C15H30N2 — CID 20500744

IUPAC1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
SMILESCCC(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C15H30N2/c1-4-15(13-5-9-16(2)10-6-13)14-7-11-17(3)12-8-14/h13-15H,4-12H2,1-3H3
InChIKeyVYHWKCMOHQNCMZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine

1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine (PubChem CID 20500744) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
PubChem CID20500744
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
SMILESCCC(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C15H30N2/c1-4-15(13-5-9-16(2)10-6-13)14-7-11-17(3)12-8-14/h13-15H,4-12H2,1-3H3
InChIKeyVYHWKCMOHQNCMZ-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylpiperidin-4-yl)methanediol
CID 21366498
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993
4-(dimethoxymethyl)-1-methylpiperidine
CID 130714868
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601
3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
CID 139460270
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
CID 116959958

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine?
The IUPAC name of 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine (CID 20500744) is 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine?
The canonical SMILES for 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine is CCC(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine?
The InChIKey is VYHWKCMOHQNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(13-5-9-16(2)10-6-13)14-7-11-17(3)12-8-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine?
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine is sourced from PubChem (CID 20500744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).