N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine

C14H31N3O — CID 142615948

IUPACN-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCNC1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2)12-16-6-10-18-11-9-17-7-4-14(15-3)5-8-17/h13-16H,4-12H2,1-3H3
InChIKeyPNNLRSYFDLFDBJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.93
Rot. Bonds9

About N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine

N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine (PubChem CID 142615948) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine
PubChem CID142615948
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine
SMILESCNC1CCN(CCOCCNCC(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2)12-16-6-10-18-11-9-17-7-4-14(15-3)5-8-17/h13-16H,4-12H2,1-3H3
InChIKeyPNNLRSYFDLFDBJ-UHFFFAOYSA-N
XLogP0.93
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholinopiperidine
CID 795724
[1-(2-Methoxyethyl)piperidin-4-yl]methanamine
CID 28063523
4-(Morpholin-4-yl)azepane
CID 56924585
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
4-(Piperidin-4-yl)-1,4-oxazepane
CID 62989033
Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
Butyl-(3-morpholin-4-yl-propyl)-amine
CID 3151943
N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
CID 795717
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine (CID 142615948) is N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine is CNC1CCN(CCOCCNCC(C)C)CC1.
What is the InChIKey of N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine?
The InChIKey is PNNLRSYFDLFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2)12-16-6-10-18-11-9-17-7-4-14(15-3)5-8-17/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine?
N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine has a molecular weight of 257.42 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 142615948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).