N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine

C16H33N3 — CID 43749031

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H33N3/c1-14(12-19-10-5-4-6-11-19)17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3
InChIKeyDLUSHFCRVMXBIJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749031) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749031
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H33N3/c1-14(12-19-10-5-4-6-11-19)17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3
InChIKeyDLUSHFCRVMXBIJ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749031) is N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NC(C)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is DLUSHFCRVMXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(12-19-10-5-4-6-11-19)17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).