N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine

C17H29N3 — CID 54295861

IUPACN-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCCN(CCCCN1CCCCC1)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-2-19(16-17-8-10-18-11-9-17)12-6-7-15-20-13-4-3-5-14-20/h8-11H,2-7,12-16H2,1H3
InChIKeyDDQSIDUKFUXYSJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.17
Rot. Bonds8

About N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine

N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine (PubChem CID 54295861) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
PubChem CID54295861
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
SMILESCCN(CCCCN1CCCCC1)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-2-19(16-17-8-10-18-11-9-17)12-6-7-15-20-13-4-3-5-14-20/h8-11H,2-7,12-16H2,1H3
InChIKeyDDQSIDUKFUXYSJ-UHFFFAOYSA-N
XLogP3.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine (CID 54295861) is N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine is CCN(CCCCN1CCCCC1)Cc1ccncc1.
What is the InChIKey of N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
The InChIKey is DDQSIDUKFUXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-19(16-17-8-10-18-11-9-17)12-6-7-15-20-13-4-3-5-14-20/h8-11H,2-7,12-16H2,1H3.
What are the key properties of N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine?
N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 54295861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).