1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine

C14H30N2O — CID 43665538

IUPAC1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
SMILESCC(C)OCCCNC1CC(C)N(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11(2)17-8-6-7-15-14-9-13(4)16(5)10-12(14)3/h11-15H,6-10H2,1-5H3
InChIKeyIZZXJKQGTQMQAL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine

1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine (PubChem CID 43665538) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
PubChem CID43665538
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
SMILESCC(C)OCCCNC1CC(C)N(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11(2)17-8-6-7-15-14-9-13(4)16(5)10-12(14)3/h11-15H,6-10H2,1-5H3
InChIKeyIZZXJKQGTQMQAL-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine (CID 43665538) is 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine is CC(C)OCCCNC1CC(C)N(C)CC1C.
What is the InChIKey of 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
The InChIKey is IZZXJKQGTQMQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)17-8-6-7-15-14-9-13(4)16(5)10-12(14)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine?
1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine is sourced from PubChem (CID 43665538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).