(1-butylpiperidin-3-yl)methyl 4-aminobenzoate

C17H26N2O2 — CID 24842710

IUPAC(1-butylpiperidin-3-yl)methyl 4-aminobenzoate
SMILESCCCCN1CCCC(COC(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-2-3-10-19-11-4-5-14(12-19)13-21-17(20)15-6-8-16(18)9-7-15/h6-9,14H,2-5,10-13,18H2,1H3
InChIKeyKDHNDVKICOYZCH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds6

About (1-butylpiperidin-3-yl)methyl 4-aminobenzoate

(1-butylpiperidin-3-yl)methyl 4-aminobenzoate (PubChem CID 24842710) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-butylpiperidin-3-yl)methyl 4-aminobenzoate.

Molecular Properties

Compound Name(1-butylpiperidin-3-yl)methyl 4-aminobenzoate
PubChem CID24842710
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-butylpiperidin-3-yl)methyl 4-aminobenzoate
SMILESCCCCN1CCCC(COC(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-2-3-10-19-11-4-5-14(12-19)13-21-17(20)15-6-8-16(18)9-7-15/h6-9,14H,2-5,10-13,18H2,1H3
InChIKeyKDHNDVKICOYZCH-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzocaine
CID 2337
Procaine
CID 4914
Padimate-O
CID 30541
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Tetracaine
CID 5411
Procaine Hydrochloride
CID 5795
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
Methyl 4-aminobenzoate
CID 12082

Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-3-yl)methyl 4-aminobenzoate?
The IUPAC name of (1-butylpiperidin-3-yl)methyl 4-aminobenzoate (CID 24842710) is (1-butylpiperidin-3-yl)methyl 4-aminobenzoate.
What is the SMILES notation for (1-butylpiperidin-3-yl)methyl 4-aminobenzoate?
The canonical SMILES for (1-butylpiperidin-3-yl)methyl 4-aminobenzoate is CCCCN1CCCC(COC(=O)c2ccc(N)cc2)C1.
What is the InChIKey of (1-butylpiperidin-3-yl)methyl 4-aminobenzoate?
The InChIKey is KDHNDVKICOYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-10-19-11-4-5-14(12-19)13-21-17(20)15-6-8-16(18)9-7-15/h6-9,14H,2-5,10-13,18H2,1H3.
What are the key properties of (1-butylpiperidin-3-yl)methyl 4-aminobenzoate?
(1-butylpiperidin-3-yl)methyl 4-aminobenzoate has a molecular weight of 290.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-3-yl)methyl 4-aminobenzoate is sourced from PubChem (CID 24842710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).