N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine

C13H29N3 — CID 79698915

IUPACN',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-16(4-2)11-5-8-15-12-13-6-9-14-10-7-13/h13-15H,3-12H2,1-2H3
InChIKeyNIFDJKVQRRACSB-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.31
Rot. Bonds8

About N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine

N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine (PubChem CID 79698915) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
PubChem CID79698915
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(CC)CCCNCC1CCNCC1
InChIInChI=1S/C13H29N3/c1-3-16(4-2)11-5-8-15-12-13-6-9-14-10-7-13/h13-15H,3-12H2,1-2H3
InChIKeyNIFDJKVQRRACSB-UHFFFAOYSA-N
XLogP1.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N-[3-(diethylamino)propyl]-2-piperidin-4-ylacetamide
CID 24707221
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine (CID 79698915) is N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine is CCN(CC)CCCNCC1CCNCC1.
What is the InChIKey of N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is NIFDJKVQRRACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-16(4-2)11-5-8-15-12-13-6-9-14-10-7-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79698915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).