2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol

C16H22Cl2N2O — CID 74239756

IUPAC2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(Cl)c(CN2CCC(N3CCCCC3)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-4-5-15(21)16(18)13(14)11-19-9-6-12(10-19)20-7-2-1-3-8-20/h4-5,12,21H,1-3,6-11H2
InChIKeyHBPWKQPWRWLLJQ-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.76
Rot. Bonds3

About 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol

2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol (PubChem CID 74239756) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
PubChem CID74239756
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(Cl)c(CN2CCC(N3CCCCC3)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-4-5-15(21)16(18)13(14)11-19-9-6-12(10-19)20-7-2-1-3-8-20/h4-5,12,21H,1-3,6-11H2
InChIKeyHBPWKQPWRWLLJQ-UHFFFAOYSA-N
XLogP3.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 136522765
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 102669966
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
1-[1-[(3-chloro-4-ethoxyphenyl)methyl]pyrrolidin-3-yl]piperidine
CID 77095203
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol (CID 74239756) is 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol is Oc1ccc(Cl)c(CN2CCC(N3CCCCC3)C2)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is HBPWKQPWRWLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-4-5-15(21)16(18)13(14)11-19-9-6-12(10-19)20-7-2-1-3-8-20/h4-5,12,21H,1-3,6-11H2.
What are the key properties of 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol?
2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 329.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 74239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).