methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate

C19H30N2O3 — CID 86843151

IUPACmethyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCCCCOc1ccc(CNC2CCN(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-3-4-5-14-24-18-8-6-16(7-9-18)15-20-17-10-12-21(13-11-17)19(22)23-2/h6-9,17,20H,3-5,10-15H2,1-2H3
InChIKeyAATUTRDTNMLUPD-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.58
Rot. Bonds8

About methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate

methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate (PubChem CID 86843151) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
PubChem CID86843151
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namemethyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCCCCOc1ccc(CNC2CCN(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-3-4-5-14-24-18-8-6-16(7-9-18)15-20-17-10-12-21(13-11-17)19(22)23-2/h6-9,17,20H,3-5,10-15H2,1-2H3
InChIKeyAATUTRDTNMLUPD-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
bis(4-dodecoxyphenyl) piperidine-1,4-dicarboxylate
CID 14473790
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
CID 119110630
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate (CID 86843151) is methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate is CCCCCOc1ccc(CNC2CCN(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is AATUTRDTNMLUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-4-5-14-24-18-8-6-16(7-9-18)15-20-17-10-12-21(13-11-17)19(22)23-2/h6-9,17,20H,3-5,10-15H2,1-2H3.
What are the key properties of methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate?
methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).