2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride

C15H24Cl2N2O2 — CID 171620485

IUPAC2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
SMILESCl.OCCOc1ccc(Cl)cc1CNCC1CCNCC1
InChIInChI=1S/C15H23ClN2O2.ClH/c16-14-1-2-15(20-8-7-19)13(9-14)11-18-10-12-3-5-17-6-4-12;/h1-2,9,12,17-19H,3-8,10-11H2;1H
InChIKeyXMFCCJMZNAOZAK-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.22
Rot. Bonds7

About 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride

2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride (PubChem CID 171620485) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
PubChem CID171620485
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
SMILESCl.OCCOc1ccc(Cl)cc1CNCC1CCNCC1
InChIInChI=1S/C15H23ClN2O2.ClH/c16-14-1-2-15(20-8-7-19)13(9-14)11-18-10-12-3-5-17-6-4-12;/h1-2,9,12,17-19H,3-8,10-11H2;1H
InChIKeyXMFCCJMZNAOZAK-UHFFFAOYSA-N
XLogP2.22
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
CID 171620367
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride (CID 171620485) is 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride is Cl.OCCOc1ccc(Cl)cc1CNCC1CCNCC1.
What is the InChIKey of 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride?
The InChIKey is XMFCCJMZNAOZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2.ClH/c16-14-1-2-15(20-8-7-19)13(9-14)11-18-10-12-3-5-17-6-4-12;/h1-2,9,12,17-19H,3-8,10-11H2;1H.
What are the key properties of 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride?
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride is sourced from PubChem (CID 171620485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).