N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine

C17H35N3 — CID 167009666

IUPACN-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(CN2CCC(N(C)C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-17(2,3)19(5)16-8-12-20(13-9-16)14-15-6-10-18(4)11-7-15/h15-16H,6-14H2,1-5H3
InChIKeyYCSJROAXFMBBIE-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds3

About N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine

N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine (PubChem CID 167009666) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
PubChem CID167009666
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(CN2CCC(N(C)C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-17(2,3)19(5)16-8-12-20(13-9-16)14-15-6-10-18(4)11-7-15/h15-16H,6-14H2,1-5H3
InChIKeyYCSJROAXFMBBIE-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine 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

1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
methane;1-methyl-4-[(4-pent-4-enylpiperidin-1-yl)methyl]piperidine
CID 177223919
methyl-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]silane
CID 174027762
N-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanamine
CID 171641734
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine (CID 167009666) is N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine is CN1CCC(CN2CCC(N(C)C(C)(C)C)CC2)CC1.
What is the InChIKey of N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine?
The InChIKey is YCSJROAXFMBBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-17(2,3)19(5)16-8-12-20(13-9-16)14-15-6-10-18(4)11-7-15/h15-16H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine?
N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 167009666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).