2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal

C19H36N4O2 — CID 174578835

IUPAC2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal
SMILESCN1CCC(N2CCN(C(C=O)COCC3CCCCN3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-21-8-5-18(6-9-21)22-10-12-23(13-11-22)19(14-24)16-25-15-17-4-2-3-7-20-17/h14,17-20H,2-13,15-16H2,1H3
InChIKeyPJSNHZIDKCZKEA-UHFFFAOYSA-N
MW352.52 g/mol
LogP0.42
Rot. Bonds7

About 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal

2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal (PubChem CID 174578835) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal
PubChem CID174578835
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal
SMILESCN1CCC(N2CCN(C(C=O)COCC3CCCCN3)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-21-8-5-18(6-9-21)22-10-12-23(13-11-22)19(14-24)16-25-15-17-4-2-3-7-20-17/h14,17-20H,2-13,15-16H2,1H3
InChIKeyPJSNHZIDKCZKEA-UHFFFAOYSA-N
XLogP0.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(pyrrolidin-2-ylmethoxy)ethanone
CID 68778881
1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
1-ethoxy-3-(piperidin-2-ylmethoxy)propan-2-ol
CID 106939406
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-[[(3R)-morpholin-3-yl]methoxy]ethanone
CID 129384992
2-(ethoxymethyl)azepane
CID 79569846
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
4-methyl-2-(piperidin-2-ylmethoxymethyl)morpholine
CID 79181998
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
N-methyl-N-(1-methylpiperidin-4-yl)-2-piperidin-2-ylacetamide
CID 43151295
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
1-cyclopropyl-N-(1-piperidin-2-ylpropan-2-yl)piperidin-4-amine
CID 79538874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal?
The IUPAC name of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal (CID 174578835) is 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal.
What is the SMILES notation for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal?
The canonical SMILES for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal is CN1CCC(N2CCN(C(C=O)COCC3CCCCN3)CC2)CC1.
What is the InChIKey of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal?
The InChIKey is PJSNHZIDKCZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-21-8-5-18(6-9-21)22-10-12-23(13-11-22)19(14-24)16-25-15-17-4-2-3-7-20-17/h14,17-20H,2-13,15-16H2,1H3.
What are the key properties of 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal?
2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal has a molecular weight of 352.52 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(piperidin-2-ylmethoxy)propanal is sourced from PubChem (CID 174578835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).