N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine

C14H27N3 — CID 126629534

IUPACN-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine
SMILESCC/C=C1\CC(N2CCC(NC)CC2)CCN1
InChIInChI=1S/C14H27N3/c1-3-4-13-11-14(5-8-16-13)17-9-6-12(15-2)7-10-17/h4,12,14-16H,3,5-11H2,1-2H3/b13-4+
InChIKeyIAVDTDUYRURYNX-YIXHJXPBSA-N
MW237.39 g/mol
LogP1.72
Rot. Bonds3

About N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine

N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine (PubChem CID 126629534) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine
PubChem CID126629534
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine
SMILESCC/C=C1\CC(N2CCC(NC)CC2)CCN1
InChIInChI=1S/C14H27N3/c1-3-4-13-11-14(5-8-16-13)17-9-6-12(15-2)7-10-17/h4,12,14-16H,3,5-11H2,1-2H3/b13-4+
InChIKeyIAVDTDUYRURYNX-YIXHJXPBSA-N
XLogP1.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine (CID 126629534) is N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine is CC/C=C1\CC(N2CCC(NC)CC2)CCN1.
What is the InChIKey of N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine?
The InChIKey is IAVDTDUYRURYNX-YIXHJXPBSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-4-13-11-14(5-8-16-13)17-9-6-12(15-2)7-10-17/h4,12,14-16H,3,5-11H2,1-2H3/b13-4+.
What are the key properties of N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine?
N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine has a molecular weight of 237.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2E)-2-propylidenepiperidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 126629534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).