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

C17H36N4O — CID 166106575

IUPACN-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
SMILESCC(C)CN1CCN(CC2CCN(C=O)CC2)CC1.CNC
InChIInChI=1S/C15H29N3O.C2H7N/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-3-2/h13-15H,3-12H2,1-2H3;3H,1-2H3
InChIKeyRKEIYPZQQDXMGT-UHFFFAOYSA-N
MW312.50 g/mol
LogP0.96
Rot. Bonds5

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

N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde (PubChem CID 166106575) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound NameN-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
PubChem CID166106575
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC NameN-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
SMILESCC(C)CN1CCN(CC2CCN(C=O)CC2)CC1.CNC
InChIInChI=1S/C15H29N3O.C2H7N/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-3-2/h13-15H,3-12H2,1-2H3;3H,1-2H3
InChIKeyRKEIYPZQQDXMGT-UHFFFAOYSA-N
XLogP0.96
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
CID 44592952
N-[2-(4-methylpiperidin-1-yl)ethyl]formamide
CID 64992287
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70285576
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-[(4-methylpiperazin-1-yl)-piperidin-4-ylmethyl]formamide
CID 91272128
N-[[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]formamide
CID 142390572
ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
CID 142391074
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
Ethane;4-methylpiperidine;piperazine-1-carbaldehyde
CID 144962750
1-Methyl-4-[2-[1-[2-[2-(methylamino)ethylamino]ethyl]piperidin-4-yl]ethyl]piperazin-2-one
CID 145547828

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The IUPAC name of N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde (CID 166106575) is N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The canonical SMILES for N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde is CC(C)CN1CCN(CC2CCN(C=O)CC2)CC1.CNC.
What is the InChIKey of N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
The InChIKey is RKEIYPZQQDXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C2H7N/c1-14(2)11-16-7-9-17(10-8-16)12-15-3-5-18(13-19)6-4-15;1-3-2/h13-15H,3-12H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde?
N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde has a molecular weight of 312.50 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 166106575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).