2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol

C18H29ClN2O — CID 142098999

IUPAC2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
SMILESCCN(CC)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2O/c1-3-20(4-2)10-7-15-8-11-21(12-9-15)14-16-5-6-18(22)17(19)13-16/h5-6,13,15,22H,3-4,7-12,14H2,1-2H3
InChIKeyYDGAJHLGEOWTCU-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.99
Rot. Bonds7

About 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol

2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol (PubChem CID 142098999) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
PubChem CID142098999
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
SMILESCCN(CC)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2O/c1-3-20(4-2)10-7-15-8-11-21(12-9-15)14-16-5-6-18(22)17(19)13-16/h5-6,13,15,22H,3-4,7-12,14H2,1-2H3
InChIKeyYDGAJHLGEOWTCU-UHFFFAOYSA-N
XLogP3.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol (CID 142098999) is 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol is CCN(CC)CCC1CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol?
The InChIKey is YDGAJHLGEOWTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-3-20(4-2)10-7-15-8-11-21(12-9-15)14-16-5-6-18(22)17(19)13-16/h5-6,13,15,22H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol has a molecular weight of 324.90 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 142098999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).