N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline

C19H32N2 — CID 43308349

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline
SMILESCCCCCc1ccc(NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-5-6-7-17-8-10-19(11-9-17)20-16(2)18-12-14-21(3)15-13-18/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyASHCPRMOSFACQW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline

N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline (PubChem CID 43308349) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline
PubChem CID43308349
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline
SMILESCCCCCc1ccc(NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-5-6-7-17-8-10-19(11-9-17)20-16(2)18-12-14-21(3)15-13-18/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyASHCPRMOSFACQW-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline (CID 43308349) is N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline is CCCCCc1ccc(NC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline?
The InChIKey is ASHCPRMOSFACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-5-6-7-17-8-10-19(11-9-17)20-16(2)18-12-14-21(3)15-13-18/h8-11,16,18,20H,4-7,12-15H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline?
N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]-4-pentylaniline is sourced from PubChem (CID 43308349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).