1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide

C14H29N3O — CID 142596949

IUPAC1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide
SMILESCCN1CCC(CN2CCCCC2)CC1.NC=O
InChIInChI=1S/C13H26N2.CH3NO/c1-2-14-10-6-13(7-11-14)12-15-8-4-3-5-9-15;2-1-3/h13H,2-12H2,1H3;1H,(H2,2,3)
InChIKeyKEXQNLDRVLWMOG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.31
Rot. Bonds3

About 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide

1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide (PubChem CID 142596949) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide.

Molecular Properties

Compound Name1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide
PubChem CID142596949
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide
SMILESCCN1CCC(CN2CCCCC2)CC1.NC=O
InChIInChI=1S/C13H26N2.CH3NO/c1-2-14-10-6-13(7-11-14)12-15-8-4-3-5-9-15;2-1-3/h13H,2-12H2,1H3;1H,(H2,2,3)
InChIKeyKEXQNLDRVLWMOG-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]formamide
CID 18695498
N-[2-(1-methylpiperidin-4-yl)ethyl]formamide
CID 18695563
4-(2-Aminoethyl)piperidine-1-carbaldehyde
CID 22377499
N-methyl-N-(2-piperidin-4-ylethyl)formamide
CID 54279094
[4-Methanidyl-4-[(2-methylpropylamino)methyl]piperidin-1-yl]-tritiomethanone;yttrium
CID 57618910
N-[(1-ethylpiperidin-4-yl)methyl]formamide
CID 64991387
4-(Piperidin-4-ylmethyl)piperazine-1-carbaldehyde
CID 82078132
4-(Piperazin-1-ylmethyl)piperidine-1-carbaldehyde
CID 82508367
4-(2-Piperidin-4-ylethyl)piperazine-1-carbaldehyde
CID 83709356
N-methyl-N-(piperidin-4-ylmethyl)formamide
CID 84064401
N-[2-(1-propylpiperidin-4-yl)ethyl]formamide
CID 87600022
N-[2-(1-ethylpiperidin-4-yl)ethyl]formamide
CID 87600160

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide?
The IUPAC name of 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide (CID 142596949) is 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide.
What is the SMILES notation for 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide?
The canonical SMILES for 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide is CCN1CCC(CN2CCCCC2)CC1.NC=O.
What is the InChIKey of 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide?
The InChIKey is KEXQNLDRVLWMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.CH3NO/c1-2-14-10-6-13(7-11-14)12-15-8-4-3-5-9-15;2-1-3/h13H,2-12H2,1H3;1H,(H2,2,3).
What are the key properties of 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide?
1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide has a molecular weight of 255.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide is sourced from PubChem (CID 142596949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).