N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine

C15H23ClN2O — CID 171620321

IUPACN-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1cc(Cl)ccc1CNCC1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-2-19-15-9-14(16)4-3-13(15)11-18-10-12-5-7-17-8-6-12/h3-4,9,12,17-18H,2,5-8,10-11H2,1H3
InChIKeyPFNRPAUKPSXLMH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine

N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 171620321) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID171620321
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1cc(Cl)ccc1CNCC1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-2-19-15-9-14(16)4-3-13(15)11-18-10-12-5-7-17-8-6-12/h3-4,9,12,17-18H,2,5-8,10-11H2,1H3
InChIKeyPFNRPAUKPSXLMH-UHFFFAOYSA-N
XLogP2.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
CID 171620367
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 66538332
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620426
2-[4-chloro-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]ethanol;hydrochloride
CID 171620485
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
N-[(2-chloro-6-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620410
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine (CID 171620321) is N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine is CCOc1cc(Cl)ccc1CNCC1CCNCC1.
What is the InChIKey of N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is PFNRPAUKPSXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-19-15-9-14(16)4-3-13(15)11-18-10-12-5-7-17-8-6-12/h3-4,9,12,17-18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 171620321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).