2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane

C19H36N2O — CID 176968225

IUPAC2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane
SMILESCC1CCN(CC2CC3(CCN(C=O)CC3)C2)CC1.CCC
InChIInChI=1S/C16H28N2O.C3H8/c1-14-2-6-17(7-3-14)12-15-10-16(11-15)4-8-18(13-19)9-5-16;1-3-2/h13-15H,2-12H2,1H3;3H2,1-2H3
InChIKeyDNGRFSLYNYLLBX-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.78
Rot. Bonds3

About 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane

2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane (PubChem CID 176968225) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane
PubChem CID176968225
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane
SMILESCC1CCN(CC2CC3(CCN(C=O)CC3)C2)CC1.CCC
InChIInChI=1S/C16H28N2O.C3H8/c1-14-2-6-17(7-3-14)12-15-10-16(11-15)4-8-18(13-19)9-5-16;1-3-2/h13-15H,2-12H2,1H3;3H2,1-2H3
InChIKeyDNGRFSLYNYLLBX-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane
CID 178005549
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195325
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
CID 167251119
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
4-tert-butyl-4-methylpiperidine-1-carbaldehyde
CID 156749838

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane (CID 176968225) is 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane is CC1CCN(CC2CC3(CCN(C=O)CC3)C2)CC1.CCC.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane?
The InChIKey is DNGRFSLYNYLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.C3H8/c1-14-2-6-17(7-3-14)12-15-10-16(11-15)4-8-18(13-19)9-5-16;1-3-2/h13-15H,2-12H2,1H3;3H2,1-2H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane?
2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane has a molecular weight of 308.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane is sourced from PubChem (CID 176968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).