1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine

C15H21Cl2N — CID 144996291

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-14(16)15(17)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyDWZBSOLPQVWNBZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.01
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine

1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine (PubChem CID 144996291) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
PubChem CID144996291
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
SMILESCCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-14(16)15(17)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyDWZBSOLPQVWNBZ-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
5-chloro-6-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892230
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine (CID 144996291) is 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine is CCCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine?
The InChIKey is DWZBSOLPQVWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-3-12-6-8-18(9-7-12)11-13-4-5-14(16)15(17)10-13/h4-5,10,12H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine?
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine has a molecular weight of 286.25 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine is sourced from PubChem (CID 144996291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).