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

C19H22ClNO3 — CID 56883892

IUPAC2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
SMILESCOc1ccccc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C19H22ClNO3/c1-23-18-4-2-3-5-19(18)24-15-8-10-21(11-9-15)13-14-6-7-17(22)16(20)12-14/h2-7,12,15,22H,8-11,13H2,1H3
InChIKeyHVANPPUCNNNXAO-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.10
Rot. Bonds5

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

2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol (PubChem CID 56883892) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
PubChem CID56883892
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
SMILESCOc1ccccc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C19H22ClNO3/c1-23-18-4-2-3-5-19(18)24-15-8-10-21(11-9-15)13-14-6-7-17(22)16(20)12-14/h2-7,12,15,22H,8-11,13H2,1H3
InChIKeyHVANPPUCNNNXAO-UHFFFAOYSA-N
XLogP4.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56898953
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol (CID 56883892) is 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol is COc1ccccc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol?
The InChIKey is HVANPPUCNNNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-23-18-4-2-3-5-19(18)24-15-8-10-21(11-9-15)13-14-6-7-17(22)16(20)12-14/h2-7,12,15,22H,8-11,13H2,1H3.
What are the key properties of 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol has a molecular weight of 347.84 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 56883892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).