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

C17H34N2 — CID 172611487

IUPAC1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CC2CCN(CCC)CC2)CC1
InChIInChI=1S/C17H34N2/c1-3-9-18-11-5-16(6-12-18)15-17-7-13-19(10-4-2)14-8-17/h16-17H,3-15H2,1-2H3
InChIKeyRMCLVLRQZPYXDA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds6

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

1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine (PubChem CID 172611487) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
PubChem CID172611487
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CC2CCN(CCC)CC2)CC1
InChIInChI=1S/C17H34N2/c1-3-9-18-11-5-16(6-12-18)15-17-7-13-19(10-4-2)14-8-17/h16-17H,3-15H2,1-2H3
InChIKeyRMCLVLRQZPYXDA-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine (CID 172611487) is 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine is CCCN1CCC(CC2CCN(CCC)CC2)CC1.
What is the InChIKey of 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine?
The InChIKey is RMCLVLRQZPYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-9-18-11-5-16(6-12-18)15-17-7-13-19(10-4-2)14-8-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine?
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 172611487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).