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

C15H23ClN2O — CID 80550899

IUPAC2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCCNCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-17-10-12-5-7-18(8-6-12)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,17,19H,2,5-8,10-11H2,1H3
InChIKeyWFNXZOYUSITNRP-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.87
Rot. Bonds5

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

2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol (PubChem CID 80550899) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
PubChem CID80550899
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCCNCC1CCN(Cc2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-17-10-12-5-7-18(8-6-12)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,17,19H,2,5-8,10-11H2,1H3
InChIKeyWFNXZOYUSITNRP-UHFFFAOYSA-N
XLogP2.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062881
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol (CID 80550899) is 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol is CCNCC1CCN(Cc2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is WFNXZOYUSITNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-17-10-12-5-7-18(8-6-12)11-13-3-4-15(19)14(16)9-13/h3-4,9,12,17,19H,2,5-8,10-11H2,1H3.
What are the key properties of 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 282.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 80550899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).