2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde

C19H39N3O — CID 165116549

IUPAC2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
SMILESCC(C)C.CC(C)CN1CCN(CC2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H29N3O.C4H10/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-4(2)3/h13-15H,3-12H2,1-2H3;4H,1-3H3
InChIKeyGHVOFKSPPABMFZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.79
Rot. Bonds5

About 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde

2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde (PubChem CID 165116549) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
PubChem CID165116549
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
SMILESCC(C)C.CC(C)CN1CCN(CC2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H29N3O.C4H10/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-4(2)3/h13-15H,3-12H2,1-2H3;4H,1-3H3
InChIKeyGHVOFKSPPABMFZ-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
CID 176558506
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 176558507
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide
CID 64992690
1-[4-[(1-Methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 68899372
4-(2-Piperidin-1-ylethyl)piperazine-1-carbaldehyde
CID 82080873
4-[2-(Dimethylamino)ethyl]piperidine-1-carbaldehyde
CID 87381497
N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]formamide
CID 118069129
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide
CID 121338464
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]formamide
CID 123390284
1-[4-[(4-Ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 124199557
1-[4-[(4-Methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 126759787
Methyl 4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 129269320

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The IUPAC name of 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde (CID 165116549) is 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde is CC(C)C.CC(C)CN1CCN(CC2CCN(C=O)CC2)CC1.
What is the InChIKey of 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The InChIKey is GHVOFKSPPABMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C4H10/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-4(2)3/h13-15H,3-12H2,1-2H3;4H,1-3H3.
What are the key properties of 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde has a molecular weight of 325.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 165116549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).